smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1O ZINC000179647636 1022362477 /nfs/dbraw/zinc/36/24/77/1022362477.db2.gz TZLMQSASIPRUAV-GOSISDBHSA-N 2 2 335.451 4.242 20 10 EICDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858593 1022864165 /nfs/dbraw/zinc/86/41/65/1022864165.db2.gz DYSVHYBBFAVVLU-CRAIPNDOSA-N 2 2 339.483 4.004 20 10 EICDLP CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317021 1029338831 /nfs/dbraw/zinc/33/88/31/1029338831.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 2 2 339.483 4.256 20 10 EICDLP CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317021 1029338839 /nfs/dbraw/zinc/33/88/39/1029338839.db2.gz GZEWFWDIUVFSHL-QFBILLFUSA-N 2 2 339.483 4.256 20 10 EICDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149001 1045884952 /nfs/dbraw/zinc/88/49/52/1045884952.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149001 1045884967 /nfs/dbraw/zinc/88/49/67/1045884967.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149001 1045884950 /nfs/dbraw/zinc/88/49/50/1045884950.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149001 1045884964 /nfs/dbraw/zinc/88/49/64/1045884964.db2.gz WQJYCVKUNHZAFJ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209963 1048705986 /nfs/dbraw/zinc/70/59/86/1048705986.db2.gz XSKJYFWJXYFSJN-JYJNAYRXSA-N 2 2 342.405 4.079 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209963 1048706003 /nfs/dbraw/zinc/70/60/03/1048706003.db2.gz XSKJYFWJXYFSJN-JYJNAYRXSA-N 2 2 342.405 4.079 20 10 EICDLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943850 1049061440 /nfs/dbraw/zinc/06/14/40/1049061440.db2.gz VZVHTEAJGJNTSP-XWIAVFTESA-N 2 2 329.513 4.042 20 10 EICDLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943848 1049062305 /nfs/dbraw/zinc/06/23/05/1049062305.db2.gz VZVHTEAJGJNTSP-FSPWUOQZSA-N 2 2 329.513 4.042 20 10 EICDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386100 1050686551 /nfs/dbraw/zinc/68/65/51/1050686551.db2.gz HJWMHLHTIQSRMQ-VQKOGROQSA-N 2 2 341.543 4.153 20 10 EICDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386100 1050686558 /nfs/dbraw/zinc/68/65/58/1050686558.db2.gz HJWMHLHTIQSRMQ-VQKOGROQSA-N 2 2 341.543 4.153 20 10 EICDLP CCN(C)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000773838592 1050818584 /nfs/dbraw/zinc/81/85/84/1050818584.db2.gz IWWWRFBEWTVFPG-UHFFFAOYSA-N 2 2 340.515 4.032 20 10 EICDLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774114786 1051459125 /nfs/dbraw/zinc/45/91/25/1051459125.db2.gz JITVYKUZNKTXOR-GFCCVEGCSA-N 2 2 345.314 4.470 20 10 EICDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774213505 1051497855 /nfs/dbraw/zinc/49/78/55/1051497855.db2.gz OAKARJXDXSKEBH-SDDRHHMPSA-N 2 2 331.287 4.222 20 10 EICDLP COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000185447460 1052606680 /nfs/dbraw/zinc/60/66/80/1052606680.db2.gz GLUCMBUGCNUGJD-HOTGVXAUSA-N 2 2 342.483 4.181 20 10 EICDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250421 1053476786 /nfs/dbraw/zinc/47/67/86/1053476786.db2.gz LZYUACAXCXZFHJ-VQIMIIECSA-N 2 2 328.504 4.105 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490463 522756043 /nfs/dbraw/zinc/75/60/43/522756043.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 2 2 343.298 4.367 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490463 522756049 /nfs/dbraw/zinc/75/60/49/522756049.db2.gz OPWBUPHLMFLMAJ-ZENOOKHLSA-N 2 2 343.298 4.367 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208055 1023002377 /nfs/dbraw/zinc/00/23/77/1023002377.db2.gz NSJWNWNQGQRNPL-AEFFLSMTSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208055 1023002392 /nfs/dbraw/zinc/00/23/92/1023002392.db2.gz NSJWNWNQGQRNPL-AEFFLSMTSA-N 2 2 342.458 4.094 20 10 EICDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185675660 1030212339 /nfs/dbraw/zinc/21/23/39/1030212339.db2.gz RDEWMZHONOBWQK-UONOGXRCSA-N 2 2 339.414 4.437 20 10 EICDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c(O)c1C ZINC000366684853 1042047239 /nfs/dbraw/zinc/04/72/39/1042047239.db2.gz XEQFRUSPUMBANH-MRXNPFEDSA-N 2 2 344.524 4.386 20 10 EICDLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223610 1048692337 /nfs/dbraw/zinc/69/23/37/1048692337.db2.gz OKHYZPNUUDEXOA-INIZCTEOSA-N 2 2 344.421 4.325 20 10 EICDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000237568917 1049615866 /nfs/dbraw/zinc/61/58/66/1049615866.db2.gz CMWYPMFIINLKTD-HNAYVOBHSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000237568917 1049615873 /nfs/dbraw/zinc/61/58/73/1049615873.db2.gz CMWYPMFIINLKTD-HNAYVOBHSA-N 2 2 344.886 4.188 20 10 EICDLP CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173274309 1050391253 /nfs/dbraw/zinc/39/12/53/1050391253.db2.gz PKEACGZMXCHFMA-IALDWUNLSA-N 2 2 340.467 4.007 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001179044652 1050612545 /nfs/dbraw/zinc/61/25/45/1050612545.db2.gz MCKCNBLHOBTZKD-FCHUYYIVSA-N 2 2 343.559 4.420 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001179044652 1050612559 /nfs/dbraw/zinc/61/25/59/1050612559.db2.gz MCKCNBLHOBTZKD-FCHUYYIVSA-N 2 2 343.559 4.420 20 10 EICDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386098 1050687491 /nfs/dbraw/zinc/68/74/91/1050687491.db2.gz HJWMHLHTIQSRMQ-KOIKXXGWSA-N 2 2 341.543 4.153 20 10 EICDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386098 1050687500 /nfs/dbraw/zinc/68/75/00/1050687500.db2.gz HJWMHLHTIQSRMQ-KOIKXXGWSA-N 2 2 341.543 4.153 20 10 EICDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857361 /nfs/dbraw/zinc/85/73/61/1050857361.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857368 /nfs/dbraw/zinc/85/73/68/1050857368.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857376 /nfs/dbraw/zinc/85/73/76/1050857376.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029645 1050857381 /nfs/dbraw/zinc/85/73/81/1050857381.db2.gz DLXYZLCNKWAMSQ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000774160787 1051488972 /nfs/dbraw/zinc/48/89/72/1051488972.db2.gz BDMWMNYXOOHWDL-STQMWFEESA-N 2 2 345.314 4.470 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245502 1052549900 /nfs/dbraw/zinc/54/99/00/1052549900.db2.gz WVWHRIYITGSNNP-LSDHHAIUSA-N 2 2 348.487 4.156 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245502 1052549907 /nfs/dbraw/zinc/54/99/07/1052549907.db2.gz WVWHRIYITGSNNP-LSDHHAIUSA-N 2 2 348.487 4.156 20 10 EICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240308 1053655888 /nfs/dbraw/zinc/65/58/88/1053655888.db2.gz OSPZUWUCLMNJKX-YJBOKZPZSA-N 2 2 336.907 4.208 20 10 EICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240308 1053655894 /nfs/dbraw/zinc/65/58/94/1053655894.db2.gz OSPZUWUCLMNJKX-YJBOKZPZSA-N 2 2 336.907 4.208 20 10 EICDLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310992629 1023498068 /nfs/dbraw/zinc/49/80/68/1023498068.db2.gz IAMQMNPBVICZFM-IERDGZPVSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955399 1049067708 /nfs/dbraw/zinc/06/77/08/1049067708.db2.gz XPGUEBPHUVNLTB-OXQOHEQNSA-N 2 2 341.474 4.167 20 10 EICDLP CCN(CC)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001179437748 1050691604 /nfs/dbraw/zinc/69/16/04/1050691604.db2.gz LUBHELBIOLNBCF-JOCHJYFZSA-N 2 2 348.494 4.260 20 10 EICDLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774114788 1051458861 /nfs/dbraw/zinc/45/88/61/1051458861.db2.gz JITVYKUZNKTXOR-LBPRGKRZSA-N 2 2 345.314 4.470 20 10 EICDLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000775499683 1051624730 /nfs/dbraw/zinc/62/47/30/1051624730.db2.gz TWTBEDDYJQLQQU-MRXNPFEDSA-N 2 2 333.863 4.374 20 10 EICDLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805669 1053409560 /nfs/dbraw/zinc/40/95/60/1053409560.db2.gz YKBSQEXBELIKPA-WOJBJXKFSA-N 2 2 349.478 4.459 20 10 EICDLP CC[NH+]1CCN(c2ccc(Nc3ccc([NH2+]C(C)C)cc3)cc2)CC1 ZINC001201498351 1054820178 /nfs/dbraw/zinc/82/01/78/1054820178.db2.gz VFQHJBJPISZRLN-UHFFFAOYSA-N 2 2 338.499 4.392 20 10 EICDLP CC(C)[NH2+]c1ccc(Nc2ccc(F)cc2OCC[NH+](C)C)cc1 ZINC001201500252 1054822700 /nfs/dbraw/zinc/82/27/00/1054822700.db2.gz WMCAUYMBLBPPAT-UHFFFAOYSA-N 2 2 331.435 4.330 20 10 EICDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C)cc2O)c(C)c1 ZINC000877114147 1055021199 /nfs/dbraw/zinc/02/11/99/1055021199.db2.gz MBGPYFBHDJMNPW-HXUWFJFHSA-N 2 2 335.451 4.045 20 10 EICDLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310992631 1023498417 /nfs/dbraw/zinc/49/84/17/1023498417.db2.gz IAMQMNPBVICZFM-IIBYNOLFSA-N 2 2 342.458 4.094 20 10 EICDLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000162875655 1024960715 /nfs/dbraw/zinc/96/07/15/1024960715.db2.gz LLWZXEZTDSVRAM-LJQANCHMSA-N 2 2 326.488 4.081 20 10 EICDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)ccc1O ZINC000185134146 1030116387 /nfs/dbraw/zinc/11/63/87/1030116387.db2.gz AAAJWXBIMZIVJV-LBPRGKRZSA-N 2 2 345.805 4.221 20 10 EICDLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C)cc1O ZINC000280044444 1035144071 /nfs/dbraw/zinc/14/40/71/1035144071.db2.gz JFBJDNWGVNAATQ-HXUWFJFHSA-N 2 2 335.451 4.186 20 10 EICDLP CCN(CC)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758049 1038844777 /nfs/dbraw/zinc/84/47/77/1038844777.db2.gz PYVLSNXJNCDBLX-UHFFFAOYSA-N 2 2 348.494 4.067 20 10 EICDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC000366672385 1041834517 /nfs/dbraw/zinc/83/45/17/1041834517.db2.gz BIJYTFQBAAATEF-HNNXBMFYSA-N 2 2 330.497 4.077 20 10 EICDLP C[N@@H+](Cc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329895 1045924542 /nfs/dbraw/zinc/92/45/42/1045924542.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP C[N@H+](Cc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329895 1045924533 /nfs/dbraw/zinc/92/45/33/1045924533.db2.gz WDWJMJXCNNVVPL-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148159 1047172821 /nfs/dbraw/zinc/17/28/21/1047172821.db2.gz CVUGZYVMBIUOPE-QAPCUYQASA-N 2 2 338.923 4.454 20 10 EICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148159 1047172828 /nfs/dbraw/zinc/17/28/28/1047172828.db2.gz CVUGZYVMBIUOPE-QAPCUYQASA-N 2 2 338.923 4.454 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000808679417 1048048756 /nfs/dbraw/zinc/04/87/56/1048048756.db2.gz ONYJHSRXMMFTAK-BBRMVZONSA-N 2 2 335.879 4.316 20 10 EICDLP Cc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1N(C)C ZINC000815085888 1048326242 /nfs/dbraw/zinc/32/62/42/1048326242.db2.gz FAJCXNVJZVMUJY-QGZVFWFLSA-N 2 2 334.467 4.098 20 10 EICDLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207122 1048702929 /nfs/dbraw/zinc/70/29/29/1048702929.db2.gz GZESVBDKPDSYCG-INIZCTEOSA-N 2 2 342.405 4.079 20 10 EICDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000774133107 1051476773 /nfs/dbraw/zinc/47/67/73/1051476773.db2.gz WKIFMHNRVYTRSB-NWDGAFQWSA-N 2 2 331.287 4.082 20 10 EICDLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000775487871 1051560488 /nfs/dbraw/zinc/56/04/88/1051560488.db2.gz FMSFJSIUZWIYCI-KRWDZBQOSA-N 2 2 341.842 4.472 20 10 EICDLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1O ZINC000775487595 1051565120 /nfs/dbraw/zinc/56/51/20/1051565120.db2.gz LHYZQFCZSMHQJU-KRWDZBQOSA-N 2 2 345.874 4.150 20 10 EICDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185053187 1052379652 /nfs/dbraw/zinc/37/96/52/1052379652.db2.gz AMVAEGWQFNCKDY-INIZCTEOSA-N 2 2 342.458 4.155 20 10 EICDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCCC2)cc1 ZINC000765263217 1053481337 /nfs/dbraw/zinc/48/13/37/1053481337.db2.gz ZGVQXPYFOMBXDA-IBGZPJMESA-N 2 2 340.515 4.395 20 10 EICDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765255992 1053483713 /nfs/dbraw/zinc/48/37/13/1053483713.db2.gz BYWUNGYCWMSIGP-QGZVFWFLSA-N 2 2 344.478 4.144 20 10 EICDLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304571 1059305692 /nfs/dbraw/zinc/30/56/92/1059305692.db2.gz NSQNNIVOYRIKOF-UWJYYQICSA-N 2 2 348.494 4.121 20 10 EICDLP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640267 1059706715 /nfs/dbraw/zinc/70/67/15/1059706715.db2.gz BNPDNRQLUQFZLV-HZPDHXFCSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640267 1059706728 /nfs/dbraw/zinc/70/67/28/1059706728.db2.gz BNPDNRQLUQFZLV-HZPDHXFCSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000766516377 1060476366 /nfs/dbraw/zinc/47/63/66/1060476366.db2.gz XBNANDKAWVJPGP-GOSISDBHSA-N 2 2 338.499 4.225 20 10 EICDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858613 1022863874 /nfs/dbraw/zinc/86/38/74/1022863874.db2.gz DYSVHYBBFAVVLU-QAPCUYQASA-N 2 2 339.483 4.004 20 10 EICDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000185125172 1030129996 /nfs/dbraw/zinc/12/99/96/1030129996.db2.gz FGOGZYVDZFMFLW-ZDUSSCGKSA-N 2 2 327.815 4.082 20 10 EICDLP CCCN(CCC)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000769188117 1045891899 /nfs/dbraw/zinc/89/18/99/1045891899.db2.gz OGVUJSXJGDRYKY-UHFFFAOYSA-N 2 2 340.515 4.347 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1O ZINC000808681069 1048033903 /nfs/dbraw/zinc/03/39/03/1048033903.db2.gz VYRQQTLKRYHWPV-AWEZNQCLSA-N 2 2 341.842 4.391 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1O ZINC000808692446 1048039622 /nfs/dbraw/zinc/03/96/22/1048039622.db2.gz URFIQHHHTPAECS-AWEZNQCLSA-N 2 2 333.863 4.292 20 10 EICDLP Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1N(C)C ZINC000815085887 1048328367 /nfs/dbraw/zinc/32/83/67/1048328367.db2.gz FAJCXNVJZVMUJY-KRWDZBQOSA-N 2 2 334.467 4.098 20 10 EICDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939948 1049060771 /nfs/dbraw/zinc/06/07/71/1049060771.db2.gz DLJKWOWCCUKLSL-KDOFPFPSSA-N 2 2 339.508 4.318 20 10 EICDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942783 1049061372 /nfs/dbraw/zinc/06/13/72/1049061372.db2.gz QYNUEXOVBKSRNM-HUUCEWRRSA-N 2 2 337.920 4.208 20 10 EICDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942785 1049062591 /nfs/dbraw/zinc/06/25/91/1049062591.db2.gz QYNUEXOVBKSRNM-LSDHHAIUSA-N 2 2 337.920 4.208 20 10 EICDLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1O ZINC000775514091 1051661545 /nfs/dbraw/zinc/66/15/45/1051661545.db2.gz VTHCIRACBVUINX-MOPGFXCFSA-N 2 2 335.451 4.150 20 10 EICDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000794836471 1053478794 /nfs/dbraw/zinc/47/87/94/1053478794.db2.gz OMAJOLMOAHAZHC-HIFPTAJRSA-N 2 2 343.298 4.367 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542808 1055226514 /nfs/dbraw/zinc/22/65/14/1055226514.db2.gz ZXGQMWYUKDHWGX-PXNSSMCTSA-N 2 2 327.516 4.002 20 10 EICDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccccc1O ZINC000376323451 1022173075 /nfs/dbraw/zinc/17/30/75/1022173075.db2.gz IGNRTDSCROPSQR-SFHVURJKSA-N 2 2 330.497 4.159 20 10 EICDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccccc1O ZINC000364374681 1023694104 /nfs/dbraw/zinc/69/41/04/1023694104.db2.gz UCMYLSMOGZYIRZ-SFHVURJKSA-N 2 2 330.497 4.159 20 10 EICDLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(O)c1C ZINC000273372633 1037441501 /nfs/dbraw/zinc/44/15/01/1037441501.db2.gz GLOQNSAFTJYHJF-KRWDZBQOSA-N 2 2 335.451 4.105 20 10 EICDLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788573380 1047235514 /nfs/dbraw/zinc/23/55/14/1047235514.db2.gz POCVDMBYFZQEHN-CYBMUJFWSA-N 2 2 344.421 4.326 20 10 EICDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815585171 1048523154 /nfs/dbraw/zinc/52/31/54/1048523154.db2.gz ZZFQUPUZZPGZBZ-GHTZIAJQSA-N 2 2 338.495 4.140 20 10 EICDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815585171 1048523166 /nfs/dbraw/zinc/52/31/66/1048523166.db2.gz ZZFQUPUZZPGZBZ-GHTZIAJQSA-N 2 2 338.495 4.140 20 10 EICDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2c(cc1O)CCCC2 ZINC000185125432 1052447545 /nfs/dbraw/zinc/44/75/45/1052447545.db2.gz TVCOOSZUXIGDTG-INIZCTEOSA-N 2 2 347.462 4.308 20 10 EICDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122758861 1054031578 /nfs/dbraw/zinc/03/15/78/1054031578.db2.gz PJMOQGSGIMFESH-KRWDZBQOSA-N 2 2 334.467 4.098 20 10 EICDLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875246 1056039664 /nfs/dbraw/zinc/03/96/64/1056039664.db2.gz YRDKJZGUSKONEY-WIYYLYMNSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875246 1056039680 /nfs/dbraw/zinc/03/96/80/1056039680.db2.gz YRDKJZGUSKONEY-WIYYLYMNSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000766516378 1060477717 /nfs/dbraw/zinc/47/77/17/1060477717.db2.gz XBNANDKAWVJPGP-SFHVURJKSA-N 2 2 338.499 4.225 20 10 EICDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c(O)c1C ZINC000366684852 1042046873 /nfs/dbraw/zinc/04/68/73/1042046873.db2.gz XEQFRUSPUMBANH-INIZCTEOSA-N 2 2 344.524 4.386 20 10 EICDLP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152225918 1042721557 /nfs/dbraw/zinc/72/15/57/1042721557.db2.gz MFAFUKVYXGWCEI-KRWDZBQOSA-N 2 2 334.467 4.179 20 10 EICDLP CCCN(CCC)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000769189836 1045883361 /nfs/dbraw/zinc/88/33/61/1045883361.db2.gz SAIOPVPTYNOYRE-UHFFFAOYSA-N 2 2 340.515 4.416 20 10 EICDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000237594277 1049637372 /nfs/dbraw/zinc/63/73/72/1049637372.db2.gz CMWYPMFIINLKTD-DNVCBOLYSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000237594277 1049637387 /nfs/dbraw/zinc/63/73/87/1049637387.db2.gz CMWYPMFIINLKTD-DNVCBOLYSA-N 2 2 344.886 4.188 20 10 EICDLP Oc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000775652013 1053396770 /nfs/dbraw/zinc/39/67/70/1053396770.db2.gz DUBOXLZCXIHAPB-UHFFFAOYSA-N 2 2 336.907 4.134 20 10 EICDLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247578 1053475870 /nfs/dbraw/zinc/47/58/70/1053475870.db2.gz AZGMNGIJPGOSTO-OALUTQOASA-N 2 2 328.504 4.105 20 10 EICDLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247586 1053476104 /nfs/dbraw/zinc/47/61/04/1053476104.db2.gz AZGMNGIJPGOSTO-RTBURBONSA-N 2 2 328.504 4.105 20 10 EICDLP CCN(C)c1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250419 1053476771 /nfs/dbraw/zinc/47/67/71/1053476771.db2.gz LZYUACAXCXZFHJ-QFBILLFUSA-N 2 2 328.504 4.105 20 10 EICDLP C[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000310188943 1031050960 /nfs/dbraw/zinc/05/09/60/1031050960.db2.gz PPDUJNQGZPUWLB-HXUWFJFHSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000310188943 1031050981 /nfs/dbraw/zinc/05/09/81/1031050981.db2.gz PPDUJNQGZPUWLB-HXUWFJFHSA-N 2 2 344.886 4.047 20 10 EICDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(O)c1C ZINC000273372634 1037440756 /nfs/dbraw/zinc/44/07/56/1037440756.db2.gz GLOQNSAFTJYHJF-QGZVFWFLSA-N 2 2 335.451 4.105 20 10 EICDLP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000366675894 1041841776 /nfs/dbraw/zinc/84/17/76/1041841776.db2.gz IKEOVYALWBJQHI-HNNXBMFYSA-N 2 2 330.497 4.077 20 10 EICDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942777 1049060932 /nfs/dbraw/zinc/06/09/32/1049060932.db2.gz QYNUEXOVBKSRNM-CABCVRRESA-N 2 2 337.920 4.208 20 10 EICDLP CCN(CC)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001179437749 1050690601 /nfs/dbraw/zinc/69/06/01/1050690601.db2.gz LUBHELBIOLNBCF-QFIPXVFZSA-N 2 2 348.494 4.260 20 10 EICDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000774160785 1051487938 /nfs/dbraw/zinc/48/79/38/1051487938.db2.gz BDMWMNYXOOHWDL-OLZOCXBDSA-N 2 2 345.314 4.470 20 10 EICDLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000775487872 1051561135 /nfs/dbraw/zinc/56/11/35/1051561135.db2.gz FMSFJSIUZWIYCI-QGZVFWFLSA-N 2 2 341.842 4.472 20 10 EICDLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493488 1051603346 /nfs/dbraw/zinc/60/33/46/1051603346.db2.gz TVTZBEYMFKIOOB-WBVHZDCISA-N 2 2 335.879 4.398 20 10 EICDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001184265625 1051980657 /nfs/dbraw/zinc/98/06/57/1051980657.db2.gz UCLIDKRZJGETFW-RDTXWAMCSA-N 2 2 336.907 4.178 20 10 EICDLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805667 1053409032 /nfs/dbraw/zinc/40/90/32/1053409032.db2.gz YKBSQEXBELIKPA-UXHICEINSA-N 2 2 349.478 4.459 20 10 EICDLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810207123 1048703639 /nfs/dbraw/zinc/70/36/39/1048703639.db2.gz GZESVBDKPDSYCG-MRXNPFEDSA-N 2 2 342.405 4.079 20 10 EICDLP COc1cccc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1O ZINC000846148404 1048823973 /nfs/dbraw/zinc/82/39/73/1048823973.db2.gz YUWLUQPALIURAB-HOTGVXAUSA-N 2 2 342.483 4.181 20 10 EICDLP CC[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173274323 1050392143 /nfs/dbraw/zinc/39/21/43/1050392143.db2.gz PKEACGZMXCHFMA-VUEDXXQZSA-N 2 2 340.467 4.007 20 10 EICDLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001178528800 1050493663 /nfs/dbraw/zinc/49/36/63/1050493663.db2.gz PSYWGIJOEBYLIV-UHFFFAOYSA-N 2 2 342.886 4.319 20 10 EICDLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774110613 1051458221 /nfs/dbraw/zinc/45/82/21/1051458221.db2.gz FBXCKMRKZPGCQB-LLVKDONJSA-N 2 2 331.287 4.224 20 10 EICDLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1O ZINC000775514093 1051662937 /nfs/dbraw/zinc/66/29/37/1051662937.db2.gz VTHCIRACBVUINX-RBUKOAKNSA-N 2 2 335.451 4.150 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490686 1054499518 /nfs/dbraw/zinc/49/95/18/1054499518.db2.gz LVGFHFKAJHLFLV-NEPJUHHUSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490686 1054499524 /nfs/dbraw/zinc/49/95/24/1054499524.db2.gz LVGFHFKAJHLFLV-NEPJUHHUSA-N 2 2 331.287 4.082 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490462 522756933 /nfs/dbraw/zinc/75/69/33/522756933.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 2 2 343.298 4.367 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490462 522756946 /nfs/dbraw/zinc/75/69/46/522756946.db2.gz OPWBUPHLMFLMAJ-XEZPLFJOSA-N 2 2 343.298 4.367 20 10 EICDLP Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)[nH+]1 ZINC000185477598 1030156641 /nfs/dbraw/zinc/15/66/41/1030156641.db2.gz ZJOMMGIMRLAAGV-CQSZACIVSA-N 2 2 345.874 4.069 20 10 EICDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593641 1047240759 /nfs/dbraw/zinc/24/07/59/1047240759.db2.gz HEVWHMDXGMMTQI-ZIAGYGMSSA-N 2 2 344.421 4.182 20 10 EICDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593641 1047240750 /nfs/dbraw/zinc/24/07/50/1047240750.db2.gz HEVWHMDXGMMTQI-ZIAGYGMSSA-N 2 2 344.421 4.182 20 10 EICDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810210651 1048708718 /nfs/dbraw/zinc/70/87/18/1048708718.db2.gz AWIXUCCPPHCENH-HNNXBMFYSA-N 2 2 341.377 4.129 20 10 EICDLP Oc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc2ccccc21 ZINC000816544752 1048827065 /nfs/dbraw/zinc/82/70/65/1048827065.db2.gz SABGTWXALZZSCH-UHFFFAOYSA-N 2 2 329.403 4.021 20 10 EICDLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943849 1049061671 /nfs/dbraw/zinc/06/16/71/1049061671.db2.gz VZVHTEAJGJNTSP-JEBQAFNWSA-N 2 2 329.513 4.042 20 10 EICDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939947 1049062644 /nfs/dbraw/zinc/06/26/44/1049062644.db2.gz DLJKWOWCCUKLSL-KBXCAEBGSA-N 2 2 339.508 4.318 20 10 EICDLP CC[NH+](CC)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001190392801 1051166757 /nfs/dbraw/zinc/16/67/57/1051166757.db2.gz UJBPMZSPLLMFAO-UHFFFAOYSA-N 2 2 343.559 4.292 20 10 EICDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774213507 1051496898 /nfs/dbraw/zinc/49/68/98/1051496898.db2.gz OAKARJXDXSKEBH-SRVKXCTJSA-N 2 2 331.287 4.222 20 10 EICDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185165425 1052507409 /nfs/dbraw/zinc/50/74/09/1052507409.db2.gz KFVSCURWNGVGTO-INIZCTEOSA-N 2 2 347.462 4.308 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1O ZINC000185658606 1052665931 /nfs/dbraw/zinc/66/59/31/1052665931.db2.gz OKWLJQIYSNXCBS-BXWFABGCSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1O ZINC000185658606 1052665935 /nfs/dbraw/zinc/66/59/35/1052665935.db2.gz OKWLJQIYSNXCBS-BXWFABGCSA-N 2 2 342.458 4.235 20 10 EICDLP Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000775679250 1053555433 /nfs/dbraw/zinc/55/54/33/1053555433.db2.gz SCKTWEBHJXDOJB-INIZCTEOSA-N 2 2 336.907 4.134 20 10 EICDLP Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000775679250 1053555447 /nfs/dbraw/zinc/55/54/47/1053555447.db2.gz SCKTWEBHJXDOJB-INIZCTEOSA-N 2 2 336.907 4.134 20 10 EICDLP Oc1c(Cl)cccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000775725648 1053697130 /nfs/dbraw/zinc/69/71/30/1053697130.db2.gz KPNXJWVTIHLAGR-UHFFFAOYSA-N 2 2 336.907 4.134 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542807 1055229159 /nfs/dbraw/zinc/22/91/59/1055229159.db2.gz ZXGQMWYUKDHWGX-FXAWDEMLSA-N 2 2 327.516 4.002 20 10 EICDLP C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108596 1024348552 /nfs/dbraw/zinc/34/85/52/1024348552.db2.gz DQWQGWCIMOVFTQ-MAUKXSAKSA-N 2 2 344.886 4.046 20 10 EICDLP C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108596 1024348572 /nfs/dbraw/zinc/34/85/72/1024348572.db2.gz DQWQGWCIMOVFTQ-MAUKXSAKSA-N 2 2 344.886 4.046 20 10 EICDLP C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108598 1024349129 /nfs/dbraw/zinc/34/91/29/1024349129.db2.gz DQWQGWCIMOVFTQ-QAPCUYQASA-N 2 2 344.886 4.046 20 10 EICDLP C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108598 1024349143 /nfs/dbraw/zinc/34/91/43/1024349143.db2.gz DQWQGWCIMOVFTQ-QAPCUYQASA-N 2 2 344.886 4.046 20 10 EICDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171377560 1037361800 /nfs/dbraw/zinc/36/18/00/1037361800.db2.gz PZNNQGDLFYGEGI-QGZVFWFLSA-N 2 2 346.478 4.106 20 10 EICDLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000152242788 1042730376 /nfs/dbraw/zinc/73/03/76/1042730376.db2.gz GNYQWDWEGGEAEP-FQEVSTJZSA-N 2 2 334.467 4.179 20 10 EICDLP c1cc(N2CCCCC2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000768239011 1045751862 /nfs/dbraw/zinc/75/18/62/1045751862.db2.gz ADJWKQKBQDKOJB-UHFFFAOYSA-N 2 2 341.543 4.127 20 10 EICDLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788780001 1047314413 /nfs/dbraw/zinc/31/44/13/1047314413.db2.gz AEVWFLMPSIZKMV-ZDUSSCGKSA-N 2 2 344.421 4.184 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1O ZINC000808681070 1048033687 /nfs/dbraw/zinc/03/36/87/1048033687.db2.gz VYRQQTLKRYHWPV-CQSZACIVSA-N 2 2 341.842 4.391 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000808676277 1048044658 /nfs/dbraw/zinc/04/46/58/1048044658.db2.gz JXLQQULKSQEUPH-AWEZNQCLSA-N 2 2 345.874 4.069 20 10 EICDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810210652 1048708236 /nfs/dbraw/zinc/70/82/36/1048708236.db2.gz AWIXUCCPPHCENH-OAHLLOKOSA-N 2 2 341.377 4.129 20 10 EICDLP Oc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc2ccccc12 ZINC000816539843 1048826645 /nfs/dbraw/zinc/82/66/45/1048826645.db2.gz VMPDDRYGSOJIKM-UHFFFAOYSA-N 2 2 347.393 4.160 20 10 EICDLP C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2sccc21 ZINC000817943847 1049060436 /nfs/dbraw/zinc/06/04/36/1049060436.db2.gz VZVHTEAJGJNTSP-BVGQSLNGSA-N 2 2 329.513 4.042 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939952 1049061558 /nfs/dbraw/zinc/06/15/58/1049061558.db2.gz DLJKWOWCCUKLSL-RDTXWAMCSA-N 2 2 339.508 4.318 20 10 EICDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939950 1049061726 /nfs/dbraw/zinc/06/17/26/1049061726.db2.gz DLJKWOWCCUKLSL-KSSFIOAISA-N 2 2 339.508 4.318 20 10 EICDLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493483 1051604447 /nfs/dbraw/zinc/60/44/47/1051604447.db2.gz TVTZBEYMFKIOOB-DOTOQJQBSA-N 2 2 335.879 4.398 20 10 EICDLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1O ZINC000775514094 1051662542 /nfs/dbraw/zinc/66/25/42/1051662542.db2.gz VTHCIRACBVUINX-RTBURBONSA-N 2 2 335.451 4.150 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1O ZINC000185658571 1052666301 /nfs/dbraw/zinc/66/63/01/1052666301.db2.gz OKWLJQIYSNXCBS-TXPKVOOTSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1O ZINC000185658571 1052666308 /nfs/dbraw/zinc/66/63/08/1052666308.db2.gz OKWLJQIYSNXCBS-TXPKVOOTSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304568 1059305372 /nfs/dbraw/zinc/30/53/72/1059305372.db2.gz NSQNNIVOYRIKOF-UTKZUKDTSA-N 2 2 348.494 4.121 20 10 EICDLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304562 1059305481 /nfs/dbraw/zinc/30/54/81/1059305481.db2.gz NSQNNIVOYRIKOF-DYESRHJHSA-N 2 2 348.494 4.121 20 10 EICDLP Oc1c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc2ccccc21 ZINC000896193401 1027318778 /nfs/dbraw/zinc/31/87/78/1027318778.db2.gz AZXJAOMSRVYNJP-UHFFFAOYSA-N 2 2 333.435 4.017 20 10 EICDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317020 1029337584 /nfs/dbraw/zinc/33/75/84/1029337584.db2.gz GZEWFWDIUVFSHL-LPHOPBHVSA-N 2 2 339.483 4.256 20 10 EICDLP CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317020 1029337602 /nfs/dbraw/zinc/33/76/02/1029337602.db2.gz GZEWFWDIUVFSHL-LPHOPBHVSA-N 2 2 339.483 4.256 20 10 EICDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC000366672389 1041834777 /nfs/dbraw/zinc/83/47/77/1041834777.db2.gz BIJYTFQBAAATEF-OAHLLOKOSA-N 2 2 330.497 4.077 20 10 EICDLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000152242834 1042729530 /nfs/dbraw/zinc/72/95/30/1042729530.db2.gz GNYQWDWEGGEAEP-HXUWFJFHSA-N 2 2 334.467 4.179 20 10 EICDLP Oc1ccc(-c2ccccc2)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000738429772 1045060634 /nfs/dbraw/zinc/06/06/34/1045060634.db2.gz IDLYPBBEFRCIKI-UHFFFAOYSA-N 2 2 347.462 4.436 20 10 EICDLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788573381 1047236447 /nfs/dbraw/zinc/23/64/47/1047236447.db2.gz POCVDMBYFZQEHN-ZDUSSCGKSA-N 2 2 344.421 4.326 20 10 EICDLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815589942 1048527911 /nfs/dbraw/zinc/52/79/11/1048527911.db2.gz HSXXYHIDCYYQPD-GFCCVEGCSA-N 2 2 344.421 4.325 20 10 EICDLP COc1cccc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1O ZINC000846148403 1048823860 /nfs/dbraw/zinc/82/38/60/1048823860.db2.gz YUWLUQPALIURAB-CVEARBPZSA-N 2 2 342.483 4.181 20 10 EICDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000773335924 1049750593 /nfs/dbraw/zinc/75/05/93/1049750593.db2.gz RZDHTHLDUFGWIK-UHFFFAOYSA-N 2 2 348.446 4.292 20 10 EICDLP CC[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173274319 1050391929 /nfs/dbraw/zinc/39/19/29/1050391929.db2.gz PKEACGZMXCHFMA-REABXYAWSA-N 2 2 340.467 4.007 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001179044655 1050612184 /nfs/dbraw/zinc/61/21/84/1050612184.db2.gz MCKCNBLHOBTZKD-YADHBBJMSA-N 2 2 343.559 4.420 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001179044655 1050612188 /nfs/dbraw/zinc/61/21/88/1050612188.db2.gz MCKCNBLHOBTZKD-YADHBBJMSA-N 2 2 343.559 4.420 20 10 EICDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050857009 /nfs/dbraw/zinc/85/70/09/1050857009.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050857017 /nfs/dbraw/zinc/85/70/17/1050857017.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050857021 /nfs/dbraw/zinc/85/70/21/1050857021.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029653 1050857023 /nfs/dbraw/zinc/85/70/23/1050857023.db2.gz DLXYZLCNKWAMSQ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001184265623 1051981365 /nfs/dbraw/zinc/98/13/65/1051981365.db2.gz UCLIDKRZJGETFW-KDOFPFPSSA-N 2 2 336.907 4.178 20 10 EICDLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247575 1053475440 /nfs/dbraw/zinc/47/54/40/1053475440.db2.gz AZGMNGIJPGOSTO-MOPGFXCFSA-N 2 2 328.504 4.105 20 10 EICDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928473 1054998402 /nfs/dbraw/zinc/99/84/02/1054998402.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 2 2 335.879 4.025 20 10 EICDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928473 1054998422 /nfs/dbraw/zinc/99/84/22/1054998422.db2.gz WNXGHFFAOXXGPT-UHFFFAOYSA-N 2 2 335.879 4.025 20 10 EICDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1C ZINC000273446119 1037467757 /nfs/dbraw/zinc/46/77/57/1037467757.db2.gz ZZDIEGAAJFJEPW-OAHLLOKOSA-N 2 2 339.414 4.185 20 10 EICDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585173 1048522934 /nfs/dbraw/zinc/52/29/34/1048522934.db2.gz ZZFQUPUZZPGZBZ-RXVVDRJESA-N 2 2 338.495 4.140 20 10 EICDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585173 1048522939 /nfs/dbraw/zinc/52/29/39/1048522939.db2.gz ZZFQUPUZZPGZBZ-RXVVDRJESA-N 2 2 338.495 4.140 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245483 1052549262 /nfs/dbraw/zinc/54/92/62/1052549262.db2.gz WVWHRIYITGSNNP-CABCVRRESA-N 2 2 348.487 4.156 20 10 EICDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245483 1052549268 /nfs/dbraw/zinc/54/92/68/1052549268.db2.gz WVWHRIYITGSNNP-CABCVRRESA-N 2 2 348.487 4.156 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1O ZINC000185658588 1052666064 /nfs/dbraw/zinc/66/60/64/1052666064.db2.gz OKWLJQIYSNXCBS-GJYPPUQNSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1O ZINC000185658588 1052666070 /nfs/dbraw/zinc/66/60/70/1052666070.db2.gz OKWLJQIYSNXCBS-GJYPPUQNSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000237538177 1047866544 /nfs/dbraw/zinc/86/65/44/1047866544.db2.gz CMWYPMFIINLKTD-KXBFYZLASA-N 2 2 344.886 4.188 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000237538177 1047866555 /nfs/dbraw/zinc/86/65/55/1047866555.db2.gz CMWYPMFIINLKTD-KXBFYZLASA-N 2 2 344.886 4.188 20 10 EICDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815585174 1048522575 /nfs/dbraw/zinc/52/25/75/1048522575.db2.gz ZZFQUPUZZPGZBZ-WIYYLYMNSA-N 2 2 338.495 4.140 20 10 EICDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815585174 1048522589 /nfs/dbraw/zinc/52/25/89/1048522589.db2.gz ZZFQUPUZZPGZBZ-WIYYLYMNSA-N 2 2 338.495 4.140 20 10 EICDLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938601 1049061407 /nfs/dbraw/zinc/06/14/07/1049061407.db2.gz ODJKGUVOGQHGJF-KXBFYZLASA-N 2 2 337.467 4.158 20 10 EICDLP CC[C@@H](CC(C)C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001172392515 1049905737 /nfs/dbraw/zinc/90/57/37/1049905737.db2.gz DQDXZNAOSYDVJG-IWMITWMQSA-N 2 2 342.483 4.253 20 10 EICDLP COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000185447481 1052607372 /nfs/dbraw/zinc/60/73/72/1052607372.db2.gz GLUCMBUGCNUGJD-CVEARBPZSA-N 2 2 342.483 4.181 20 10 EICDLP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1O ZINC000850584684 1053335738 /nfs/dbraw/zinc/33/57/38/1053335738.db2.gz TWDAAJQCLBRLOW-GOSISDBHSA-N 2 2 336.907 4.208 20 10 EICDLP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775652939 1053399537 /nfs/dbraw/zinc/39/95/37/1053399537.db2.gz WGPSOTUGJNTPDX-UHFFFAOYSA-N 2 2 342.886 4.129 20 10 EICDLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775652939 1053399554 /nfs/dbraw/zinc/39/95/54/1053399554.db2.gz WGPSOTUGJNTPDX-UHFFFAOYSA-N 2 2 342.886 4.129 20 10 EICDLP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201497431 1054820356 /nfs/dbraw/zinc/82/03/56/1054820356.db2.gz GXHYWFKXFMRYSY-UHFFFAOYSA-N 2 2 338.499 4.311 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875241 1056039762 /nfs/dbraw/zinc/03/97/62/1056039762.db2.gz YRDKJZGUSKONEY-GHTZIAJQSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875241 1056039773 /nfs/dbraw/zinc/03/97/73/1056039773.db2.gz YRDKJZGUSKONEY-GHTZIAJQSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108593 1024351127 /nfs/dbraw/zinc/35/11/27/1024351127.db2.gz DQWQGWCIMOVFTQ-CRAIPNDOSA-N 2 2 344.886 4.046 20 10 EICDLP C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108593 1024351146 /nfs/dbraw/zinc/35/11/46/1024351146.db2.gz DQWQGWCIMOVFTQ-CRAIPNDOSA-N 2 2 344.886 4.046 20 10 EICDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317019 1029338650 /nfs/dbraw/zinc/33/86/50/1029338650.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 2 2 339.483 4.256 20 10 EICDLP CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317019 1029338670 /nfs/dbraw/zinc/33/86/70/1029338670.db2.gz GZEWFWDIUVFSHL-APWZRJJASA-N 2 2 339.483 4.256 20 10 EICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000366675895 1041842340 /nfs/dbraw/zinc/84/23/40/1041842340.db2.gz IKEOVYALWBJQHI-OAHLLOKOSA-N 2 2 330.497 4.077 20 10 EICDLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)Cc1ccccc1O ZINC000792230131 1045880431 /nfs/dbraw/zinc/88/04/31/1045880431.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 2 2 335.451 4.299 20 10 EICDLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)Cc1ccccc1O ZINC000792230131 1045880433 /nfs/dbraw/zinc/88/04/33/1045880433.db2.gz AVJWJGSKNVSWGS-UHFFFAOYSA-N 2 2 335.451 4.299 20 10 EICDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885826 /nfs/dbraw/zinc/88/58/26/1045885826.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885819 /nfs/dbraw/zinc/88/58/19/1045885819.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885832 /nfs/dbraw/zinc/88/58/32/1045885832.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769148999 1045885838 /nfs/dbraw/zinc/88/58/38/1045885838.db2.gz WQJYCVKUNHZAFJ-CVEARBPZSA-N 2 2 336.907 4.132 20 10 EICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148155 1047173440 /nfs/dbraw/zinc/17/34/40/1047173440.db2.gz CVUGZYVMBIUOPE-CRAIPNDOSA-N 2 2 338.923 4.454 20 10 EICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148155 1047173452 /nfs/dbraw/zinc/17/34/52/1047173452.db2.gz CVUGZYVMBIUOPE-CRAIPNDOSA-N 2 2 338.923 4.454 20 10 EICDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788802660 1047309153 /nfs/dbraw/zinc/30/91/53/1047309153.db2.gz DMMUUMBJLZDZHH-HSBZDZAISA-N 2 2 342.405 4.079 20 10 EICDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816593601 1048840095 /nfs/dbraw/zinc/84/00/95/1048840095.db2.gz XRJSOKHRCGRZAZ-UHFFFAOYSA-N 2 2 348.446 4.292 20 10 EICDLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938598 1049060864 /nfs/dbraw/zinc/06/08/64/1049060864.db2.gz ODJKGUVOGQHGJF-BEFAXECRSA-N 2 2 337.467 4.158 20 10 EICDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000817984817 1049078423 /nfs/dbraw/zinc/07/84/23/1049078423.db2.gz ANNMXHGZXNTRDA-MNOVXSKESA-N 2 2 329.271 4.024 20 10 EICDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386099 1050686859 /nfs/dbraw/zinc/68/68/59/1050686859.db2.gz HJWMHLHTIQSRMQ-RHVSLNNASA-N 2 2 341.543 4.153 20 10 EICDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386099 1050686868 /nfs/dbraw/zinc/68/68/68/1050686868.db2.gz HJWMHLHTIQSRMQ-RHVSLNNASA-N 2 2 341.543 4.153 20 10 EICDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856691 /nfs/dbraw/zinc/85/66/91/1050856691.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856700 /nfs/dbraw/zinc/85/67/00/1050856700.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856705 /nfs/dbraw/zinc/85/67/05/1050856705.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029649 1050856708 /nfs/dbraw/zinc/85/67/08/1050856708.db2.gz DLXYZLCNKWAMSQ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245520 1052550172 /nfs/dbraw/zinc/55/01/72/1052550172.db2.gz WVWHRIYITGSNNP-HUUCEWRRSA-N 2 2 348.487 4.156 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245520 1052550178 /nfs/dbraw/zinc/55/01/78/1052550178.db2.gz WVWHRIYITGSNNP-HUUCEWRRSA-N 2 2 348.487 4.156 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1O ZINC000185546579 1052636159 /nfs/dbraw/zinc/63/61/59/1052636159.db2.gz AMFHYNAIJRSGRS-NJSLBKSFSA-N 2 2 348.487 4.327 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1O ZINC000185546579 1052636163 /nfs/dbraw/zinc/63/61/63/1052636163.db2.gz AMFHYNAIJRSGRS-NJSLBKSFSA-N 2 2 348.487 4.327 20 10 EICDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)cc1 ZINC000765260770 1053479142 /nfs/dbraw/zinc/47/91/42/1053479142.db2.gz SFTXPQFGQTWMIJ-SFHVURJKSA-N 2 2 326.488 4.004 20 10 EICDLP Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000775679251 1053554446 /nfs/dbraw/zinc/55/44/46/1053554446.db2.gz SCKTWEBHJXDOJB-MRXNPFEDSA-N 2 2 336.907 4.134 20 10 EICDLP Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000775679251 1053554456 /nfs/dbraw/zinc/55/44/56/1053554456.db2.gz SCKTWEBHJXDOJB-MRXNPFEDSA-N 2 2 336.907 4.134 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490689 1054498404 /nfs/dbraw/zinc/49/84/04/1054498404.db2.gz LVGFHFKAJHLFLV-VXGBXAGGSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490689 1054498409 /nfs/dbraw/zinc/49/84/09/1054498409.db2.gz LVGFHFKAJHLFLV-VXGBXAGGSA-N 2 2 331.287 4.082 20 10 EICDLP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1O ZINC000806130281 1047155785 /nfs/dbraw/zinc/15/57/85/1047155785.db2.gz USYCEZFPASYPTK-SFHVURJKSA-N 2 2 332.875 4.348 20 10 EICDLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1O ZINC000806141308 1047168778 /nfs/dbraw/zinc/16/87/78/1047168778.db2.gz IGDVUYVSEOVCPG-GOSISDBHSA-N 2 2 336.907 4.493 20 10 EICDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593639 1047241507 /nfs/dbraw/zinc/24/15/07/1047241507.db2.gz HEVWHMDXGMMTQI-KGLIPLIRSA-N 2 2 344.421 4.182 20 10 EICDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593639 1047241493 /nfs/dbraw/zinc/24/14/93/1047241493.db2.gz HEVWHMDXGMMTQI-KGLIPLIRSA-N 2 2 344.421 4.182 20 10 EICDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585172 1048523712 /nfs/dbraw/zinc/52/37/12/1048523712.db2.gz ZZFQUPUZZPGZBZ-NQIIRXRSSA-N 2 2 338.495 4.140 20 10 EICDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815585172 1048523725 /nfs/dbraw/zinc/52/37/25/1048523725.db2.gz ZZFQUPUZZPGZBZ-NQIIRXRSSA-N 2 2 338.495 4.140 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942497 1049060528 /nfs/dbraw/zinc/06/05/28/1049060528.db2.gz PANPIQZZWQOHRS-AFAVFJNCSA-N 2 2 347.553 4.029 20 10 EICDLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938600 1049062428 /nfs/dbraw/zinc/06/24/28/1049062428.db2.gz ODJKGUVOGQHGJF-HNAYVOBHSA-N 2 2 337.467 4.158 20 10 EICDLP CCCN(Cc1c[nH+]c(C)n1-c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000775139963 1050604089 /nfs/dbraw/zinc/60/40/89/1050604089.db2.gz GWJFYTHHANRPLY-UHFFFAOYSA-N 2 2 334.467 4.056 20 10 EICDLP Cc1cc(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(Cl)c1 ZINC001181383679 1051215573 /nfs/dbraw/zinc/21/55/73/1051215573.db2.gz YEOZWXLLTDSRCE-UHFFFAOYSA-N 2 2 346.858 4.101 20 10 EICDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2O)CC1 ZINC001181534393 1051248149 /nfs/dbraw/zinc/24/81/49/1051248149.db2.gz LFZYWIWEZGBYCX-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2O)CC1 ZINC001181534393 1051248159 /nfs/dbraw/zinc/24/81/59/1051248159.db2.gz LFZYWIWEZGBYCX-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000774160786 1051488411 /nfs/dbraw/zinc/48/84/11/1051488411.db2.gz BDMWMNYXOOHWDL-QWHCGFSZSA-N 2 2 345.314 4.470 20 10 EICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240302 1053655914 /nfs/dbraw/zinc/65/59/14/1053655914.db2.gz OSPZUWUCLMNJKX-CRAIPNDOSA-N 2 2 336.907 4.208 20 10 EICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240302 1053655917 /nfs/dbraw/zinc/65/59/17/1053655917.db2.gz OSPZUWUCLMNJKX-CRAIPNDOSA-N 2 2 336.907 4.208 20 10 EICDLP C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000776216763 1054927201 /nfs/dbraw/zinc/92/72/01/1054927201.db2.gz FPTOQEQNZIBXMY-SFHVURJKSA-N 2 2 346.478 4.323 20 10 EICDLP Oc1ccc2ccccc2c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782941755 1023186404 /nfs/dbraw/zinc/18/64/04/1023186404.db2.gz CIHRWJSUSRTNSX-UHFFFAOYSA-N 2 2 349.478 4.434 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208057 1023643291 /nfs/dbraw/zinc/64/32/91/1023643291.db2.gz NSJWNWNQGQRNPL-SJLPKXTDSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208057 1023643294 /nfs/dbraw/zinc/64/32/94/1023643294.db2.gz NSJWNWNQGQRNPL-SJLPKXTDSA-N 2 2 342.458 4.094 20 10 EICDLP CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317022 1029338128 /nfs/dbraw/zinc/33/81/28/1029338128.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 2 2 339.483 4.256 20 10 EICDLP CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367317022 1029338144 /nfs/dbraw/zinc/33/81/44/1029338144.db2.gz GZEWFWDIUVFSHL-VQIMIIECSA-N 2 2 339.483 4.256 20 10 EICDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1O ZINC000192709385 1030713318 /nfs/dbraw/zinc/71/33/18/1030713318.db2.gz OFZBVWYCSJSGFR-INIZCTEOSA-N 2 2 347.462 4.260 20 10 EICDLP CC1CCC([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)CC1 ZINC001168203179 1031258009 /nfs/dbraw/zinc/25/80/09/1031258009.db2.gz HISILTKRXSYECU-IZVDZAFVSA-N 2 2 340.467 4.007 20 10 EICDLP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000915229711 1045202028 /nfs/dbraw/zinc/20/20/28/1045202028.db2.gz MVOSWYSGRODWPJ-LJQANCHMSA-N 2 2 348.494 4.088 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000808681407 1048035081 /nfs/dbraw/zinc/03/50/81/1048035081.db2.gz ALGBJAWKNJUVEI-CQSZACIVSA-N 2 2 341.842 4.391 20 10 EICDLP COc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1O ZINC000846148406 1048823225 /nfs/dbraw/zinc/82/32/25/1048823225.db2.gz YUWLUQPALIURAB-JKSUJKDBSA-N 2 2 342.483 4.181 20 10 EICDLP COc1cccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1O ZINC000846148405 1048823521 /nfs/dbraw/zinc/82/35/21/1048823521.db2.gz YUWLUQPALIURAB-HZPDHXFCSA-N 2 2 342.483 4.181 20 10 EICDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)[nH+]1 ZINC001179937841 1050824579 /nfs/dbraw/zinc/82/45/79/1050824579.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 2 2 345.874 4.134 20 10 EICDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)[nH+]1 ZINC001179937841 1050824591 /nfs/dbraw/zinc/82/45/91/1050824591.db2.gz PNRDHGDWWVXOFK-MRXNPFEDSA-N 2 2 345.874 4.134 20 10 EICDLP COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000185447501 1052607171 /nfs/dbraw/zinc/60/71/71/1052607171.db2.gz GLUCMBUGCNUGJD-JKSUJKDBSA-N 2 2 342.483 4.181 20 10 EICDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250415 1053475982 /nfs/dbraw/zinc/47/59/82/1053475982.db2.gz LZYUACAXCXZFHJ-APWZRJJASA-N 2 2 328.504 4.105 20 10 EICDLP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000915229709 1045202758 /nfs/dbraw/zinc/20/27/58/1045202758.db2.gz MVOSWYSGRODWPJ-IBGZPJMESA-N 2 2 348.494 4.088 20 10 EICDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885290 /nfs/dbraw/zinc/88/52/90/1045885290.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885282 /nfs/dbraw/zinc/88/52/82/1045885282.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885296 /nfs/dbraw/zinc/88/52/96/1045885296.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149002 1045885304 /nfs/dbraw/zinc/88/53/04/1045885304.db2.gz WQJYCVKUNHZAFJ-JKSUJKDBSA-N 2 2 336.907 4.132 20 10 EICDLP CN(C)c1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000771790767 1046491239 /nfs/dbraw/zinc/49/12/39/1046491239.db2.gz GNLDRNPDMORKIZ-UHFFFAOYSA-N 2 2 346.478 4.103 20 10 EICDLP CN(C)c1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000771790767 1046491211 /nfs/dbraw/zinc/49/12/11/1046491211.db2.gz GNLDRNPDMORKIZ-UHFFFAOYSA-N 2 2 346.478 4.103 20 10 EICDLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788779998 1047315085 /nfs/dbraw/zinc/31/50/85/1047315085.db2.gz AEVWFLMPSIZKMV-CYBMUJFWSA-N 2 2 344.421 4.184 20 10 EICDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1O ZINC000775490300 1051576458 /nfs/dbraw/zinc/57/64/58/1051576458.db2.gz VPTNUPXHJUNCJR-GOSISDBHSA-N 2 2 341.842 4.472 20 10 EICDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185053203 1052379804 /nfs/dbraw/zinc/37/98/04/1052379804.db2.gz AMVAEGWQFNCKDY-MRXNPFEDSA-N 2 2 342.458 4.155 20 10 EICDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc2c(cc1O)CCCC2 ZINC000185125452 1052447433 /nfs/dbraw/zinc/44/74/33/1052447433.db2.gz TVCOOSZUXIGDTG-MRXNPFEDSA-N 2 2 347.462 4.308 20 10 EICDLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(-c2c[nH+]cn2C)c1 ZINC001169693717 1060901811 /nfs/dbraw/zinc/90/18/11/1060901811.db2.gz YXGUEHLGWBEDDE-IBGZPJMESA-N 2 2 332.451 4.327 20 10 EICDLP C[C@@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1O ZINC000179647626 1022363686 /nfs/dbraw/zinc/36/36/86/1022363686.db2.gz TZLMQSASIPRUAV-SFHVURJKSA-N 2 2 335.451 4.242 20 10 EICDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858617 1022863898 /nfs/dbraw/zinc/86/38/98/1022863898.db2.gz DYSVHYBBFAVVLU-YJBOKZPZSA-N 2 2 339.483 4.004 20 10 EICDLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310992633 1023497552 /nfs/dbraw/zinc/49/75/52/1023497552.db2.gz IAMQMNPBVICZFM-KKSFZXQISA-N 2 2 342.458 4.094 20 10 EICDLP CCN(C)c1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162846183 1024951497 /nfs/dbraw/zinc/95/14/97/1024951497.db2.gz QRQCJMVNNZEYBF-KRWDZBQOSA-N 2 2 326.488 4.081 20 10 EICDLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000310992626 1046195370 /nfs/dbraw/zinc/19/53/70/1046195370.db2.gz IAMQMNPBVICZFM-HRAATJIYSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955400 1049066344 /nfs/dbraw/zinc/06/63/44/1049066344.db2.gz XPGUEBPHUVNLTB-UZLBHIALSA-N 2 2 341.474 4.167 20 10 EICDLP C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CC[N@H+](Cc2ccccc2)C1 ZINC001181316340 1051206901 /nfs/dbraw/zinc/20/69/01/1051206901.db2.gz YPTMZOYXMPPUDF-FQEVSTJZSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC001181316340 1051206921 /nfs/dbraw/zinc/20/69/21/1051206921.db2.gz YPTMZOYXMPPUDF-FQEVSTJZSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001184265624 1051981402 /nfs/dbraw/zinc/98/14/02/1051981402.db2.gz UCLIDKRZJGETFW-KSSFIOAISA-N 2 2 336.907 4.178 20 10 EICDLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875243 1056040202 /nfs/dbraw/zinc/04/02/02/1056040202.db2.gz YRDKJZGUSKONEY-NQIIRXRSSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875243 1056040211 /nfs/dbraw/zinc/04/02/11/1056040211.db2.gz YRDKJZGUSKONEY-NQIIRXRSSA-N 2 2 341.543 4.202 20 10 EICDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921800340 1056585107 /nfs/dbraw/zinc/58/51/07/1056585107.db2.gz WRYHFCRXTIZKBO-MRXNPFEDSA-N 2 2 333.435 4.048 20 10 EICDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2ccccc2c1O ZINC000185325606 1023032411 /nfs/dbraw/zinc/03/24/11/1023032411.db2.gz PAOHGWWOGZZBIT-INIZCTEOSA-N 2 2 335.451 4.483 20 10 EICDLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000162875542 1024961010 /nfs/dbraw/zinc/96/10/10/1024961010.db2.gz LLWZXEZTDSVRAM-IBGZPJMESA-N 2 2 326.488 4.081 20 10 EICDLP C[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000310188942 1025847744 /nfs/dbraw/zinc/84/77/44/1025847744.db2.gz PPDUJNQGZPUWLB-FQEVSTJZSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000310188942 1025847747 /nfs/dbraw/zinc/84/77/47/1025847747.db2.gz PPDUJNQGZPUWLB-FQEVSTJZSA-N 2 2 344.886 4.047 20 10 EICDLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)[nH+]c1 ZINC000185539359 1030201807 /nfs/dbraw/zinc/20/18/07/1030201807.db2.gz NDWCAPPNXATMTI-AWEZNQCLSA-N 2 2 345.874 4.069 20 10 EICDLP CCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000152084523 1042633560 /nfs/dbraw/zinc/63/35/60/1042633560.db2.gz WYEXUZZDOFBUIH-UHFFFAOYSA-N 2 2 341.499 4.286 20 10 EICDLP Cc1cc(O)c(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1C ZINC000809765856 1048528209 /nfs/dbraw/zinc/52/82/09/1048528209.db2.gz PNKLVFFNJSGNAB-UHFFFAOYSA-N 2 2 338.495 4.105 20 10 EICDLP Cc1cc(O)c(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1C ZINC000809765856 1048528221 /nfs/dbraw/zinc/52/82/21/1048528221.db2.gz PNKLVFFNJSGNAB-UHFFFAOYSA-N 2 2 338.495 4.105 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000817984818 1049080334 /nfs/dbraw/zinc/08/03/34/1049080334.db2.gz ANNMXHGZXNTRDA-QWRGUYRKSA-N 2 2 329.271 4.024 20 10 EICDLP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001180818653 1051090926 /nfs/dbraw/zinc/09/09/26/1051090926.db2.gz CEPGYVYUILLMJK-UHFFFAOYSA-N 2 2 338.923 4.380 20 10 EICDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774110615 1051458782 /nfs/dbraw/zinc/45/87/82/1051458782.db2.gz FBXCKMRKZPGCQB-NSHDSACASA-N 2 2 331.287 4.224 20 10 EICDLP C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)C[NH+]1CCCC1 ZINC000774133111 1051478026 /nfs/dbraw/zinc/47/80/26/1051478026.db2.gz WKIFMHNRVYTRSB-VXGBXAGGSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cc1O ZINC000185469438 1052610837 /nfs/dbraw/zinc/61/08/37/1052610837.db2.gz VQBLCFOMKHZVQV-HZPDHXFCSA-N 2 2 342.458 4.408 20 10 EICDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122759044 1054031722 /nfs/dbraw/zinc/03/17/22/1054031722.db2.gz PJMOQGSGIMFESH-QGZVFWFLSA-N 2 2 334.467 4.098 20 10 EICDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C)cc2O)c(C)c1 ZINC000877114146 1055021963 /nfs/dbraw/zinc/02/19/63/1055021963.db2.gz MBGPYFBHDJMNPW-FQEVSTJZSA-N 2 2 335.451 4.045 20 10 EICDLP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640266 1059704892 /nfs/dbraw/zinc/70/48/92/1059704892.db2.gz BNPDNRQLUQFZLV-HOTGVXAUSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640266 1059704934 /nfs/dbraw/zinc/70/49/34/1059704934.db2.gz BNPDNRQLUQFZLV-HOTGVXAUSA-N 2 2 330.447 4.093 20 10 EICDLP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152225838 1042721993 /nfs/dbraw/zinc/72/19/93/1042721993.db2.gz MFAFUKVYXGWCEI-QGZVFWFLSA-N 2 2 334.467 4.179 20 10 EICDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)c1O ZINC000809739561 1048510788 /nfs/dbraw/zinc/51/07/88/1048510788.db2.gz OHIXHSGNYCKWRE-UHFFFAOYSA-N 2 2 332.875 4.129 20 10 EICDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)c1O ZINC000809739561 1048510794 /nfs/dbraw/zinc/51/07/94/1048510794.db2.gz OHIXHSGNYCKWRE-UHFFFAOYSA-N 2 2 332.875 4.129 20 10 EICDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955397 1049066744 /nfs/dbraw/zinc/06/67/44/1049066744.db2.gz XPGUEBPHUVNLTB-JXFKEZNVSA-N 2 2 341.474 4.167 20 10 EICDLP CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001179169363 1050647655 /nfs/dbraw/zinc/64/76/55/1050647655.db2.gz YZQKGOLKVRGVDA-OAQYLSRUSA-N 2 2 329.532 4.029 20 10 EICDLP CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001179169363 1050647659 /nfs/dbraw/zinc/64/76/59/1050647659.db2.gz YZQKGOLKVRGVDA-OAQYLSRUSA-N 2 2 329.532 4.029 20 10 EICDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001179386097 1050686229 /nfs/dbraw/zinc/68/62/29/1050686229.db2.gz HJWMHLHTIQSRMQ-DORXLWPQSA-N 2 2 341.543 4.153 20 10 EICDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001179386097 1050686236 /nfs/dbraw/zinc/68/62/36/1050686236.db2.gz HJWMHLHTIQSRMQ-DORXLWPQSA-N 2 2 341.543 4.153 20 10 EICDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000774160784 1051488503 /nfs/dbraw/zinc/48/85/03/1051488503.db2.gz BDMWMNYXOOHWDL-CHWSQXEVSA-N 2 2 345.314 4.470 20 10 EICDLP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1O ZINC000850584687 1053336320 /nfs/dbraw/zinc/33/63/20/1053336320.db2.gz TWDAAJQCLBRLOW-SFHVURJKSA-N 2 2 336.907 4.208 20 10 EICDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542809 1055227687 /nfs/dbraw/zinc/22/76/87/1055227687.db2.gz ZXGQMWYUKDHWGX-XLIONFOSSA-N 2 2 327.516 4.002 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379649814 1059746019 /nfs/dbraw/zinc/74/60/19/1059746019.db2.gz PUGPFGWSOHKWKV-RDJZCZTQSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379649814 1059746042 /nfs/dbraw/zinc/74/60/42/1059746042.db2.gz PUGPFGWSOHKWKV-RDJZCZTQSA-N 2 2 344.886 4.188 20 10 EICDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccccc1O ZINC000364374680 1023694286 /nfs/dbraw/zinc/69/42/86/1023694286.db2.gz UCMYLSMOGZYIRZ-GOSISDBHSA-N 2 2 330.497 4.159 20 10 EICDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1F ZINC000185134784 1030115399 /nfs/dbraw/zinc/11/53/99/1030115399.db2.gz KCTQLMOUVZTXCD-GFCCVEGCSA-N 2 2 343.377 4.015 20 10 EICDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000185125193 1030128869 /nfs/dbraw/zinc/12/88/69/1030128869.db2.gz FGOGZYVDZFMFLW-CYBMUJFWSA-N 2 2 327.815 4.082 20 10 EICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148161 1047172794 /nfs/dbraw/zinc/17/27/94/1047172794.db2.gz CVUGZYVMBIUOPE-YJBOKZPZSA-N 2 2 338.923 4.454 20 10 EICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148161 1047172797 /nfs/dbraw/zinc/17/27/97/1047172797.db2.gz CVUGZYVMBIUOPE-YJBOKZPZSA-N 2 2 338.923 4.454 20 10 EICDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593638 1047240423 /nfs/dbraw/zinc/24/04/23/1047240423.db2.gz HEVWHMDXGMMTQI-KBPBESRZSA-N 2 2 344.421 4.182 20 10 EICDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593638 1047240434 /nfs/dbraw/zinc/24/04/34/1047240434.db2.gz HEVWHMDXGMMTQI-KBPBESRZSA-N 2 2 344.421 4.182 20 10 EICDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000788802661 1047308346 /nfs/dbraw/zinc/30/83/46/1047308346.db2.gz DMMUUMBJLZDZHH-IYXRBSQSSA-N 2 2 342.405 4.079 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1O ZINC000808692447 1048038964 /nfs/dbraw/zinc/03/89/64/1048038964.db2.gz URFIQHHHTPAECS-CQSZACIVSA-N 2 2 333.863 4.292 20 10 EICDLP CC[C@H](CC(C)C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001172392512 1049905701 /nfs/dbraw/zinc/90/57/01/1049905701.db2.gz DQDXZNAOSYDVJG-IPHXSNPTSA-N 2 2 342.483 4.253 20 10 EICDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)C[NH+]1CCCC1 ZINC000774133109 1051476999 /nfs/dbraw/zinc/47/69/99/1051476999.db2.gz WKIFMHNRVYTRSB-RYUDHWBXSA-N 2 2 331.287 4.082 20 10 EICDLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1O ZINC000775487596 1051565559 /nfs/dbraw/zinc/56/55/59/1051565559.db2.gz LHYZQFCZSMHQJU-QGZVFWFLSA-N 2 2 345.874 4.150 20 10 EICDLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000765247582 1053475529 /nfs/dbraw/zinc/47/55/29/1053475529.db2.gz AZGMNGIJPGOSTO-RBUKOAKNSA-N 2 2 328.504 4.105 20 10 EICDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCCC2)cc1 ZINC000765263219 1053481009 /nfs/dbraw/zinc/48/10/09/1053481009.db2.gz ZGVQXPYFOMBXDA-LJQANCHMSA-N 2 2 340.515 4.395 20 10 EICDLP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)[N@H+](C)Cc1ccccc1 ZINC000379640264 1059707292 /nfs/dbraw/zinc/70/72/92/1059707292.db2.gz BNPDNRQLUQFZLV-CVEARBPZSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1O)[N@@H+](C)Cc1ccccc1 ZINC000379640264 1059707305 /nfs/dbraw/zinc/70/73/05/1059707305.db2.gz BNPDNRQLUQFZLV-CVEARBPZSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379649812 1059747942 /nfs/dbraw/zinc/74/79/42/1059747942.db2.gz PUGPFGWSOHKWKV-DOTOQJQBSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379649812 1059747989 /nfs/dbraw/zinc/74/79/89/1059747989.db2.gz PUGPFGWSOHKWKV-DOTOQJQBSA-N 2 2 344.886 4.188 20 10 EICDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185675643 1030209729 /nfs/dbraw/zinc/20/97/29/1030209729.db2.gz RDEWMZHONOBWQK-ZIAGYGMSSA-N 2 2 339.414 4.437 20 10 EICDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185675626 1030211444 /nfs/dbraw/zinc/21/14/44/1030211444.db2.gz RDEWMZHONOBWQK-KBPBESRZSA-N 2 2 339.414 4.437 20 10 EICDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000060806683 1036490861 /nfs/dbraw/zinc/49/08/61/1036490861.db2.gz JCTVLTHTVBIFMB-UHFFFAOYSA-N 2 2 348.494 4.090 20 10 EICDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169940 /nfs/dbraw/zinc/16/99/40/1046169940.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 2 2 336.479 4.118 20 10 EICDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169928 /nfs/dbraw/zinc/16/99/28/1046169928.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 2 2 336.479 4.118 20 10 EICDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169948 /nfs/dbraw/zinc/16/99/48/1046169948.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 2 2 336.479 4.118 20 10 EICDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)ccc1O ZINC000770286875 1046169962 /nfs/dbraw/zinc/16/99/62/1046169962.db2.gz SJCUEKCBCDHGBJ-RTWAWAEBSA-N 2 2 336.479 4.118 20 10 EICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148158 1047173230 /nfs/dbraw/zinc/17/32/30/1047173230.db2.gz CVUGZYVMBIUOPE-MAUKXSAKSA-N 2 2 338.923 4.454 20 10 EICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1O ZINC000806148158 1047173234 /nfs/dbraw/zinc/17/32/34/1047173234.db2.gz CVUGZYVMBIUOPE-MAUKXSAKSA-N 2 2 338.923 4.454 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000808679418 1048048278 /nfs/dbraw/zinc/04/82/78/1048048278.db2.gz ONYJHSRXMMFTAK-CJNGLKHVSA-N 2 2 335.879 4.316 20 10 EICDLP Oc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc2ccccc21 ZINC000816529682 1048823764 /nfs/dbraw/zinc/82/37/64/1048823764.db2.gz CIZIOJCBVMDTGH-UHFFFAOYSA-N 2 2 346.474 4.300 20 10 EICDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1O ZINC000775490301 1051575711 /nfs/dbraw/zinc/57/57/11/1051575711.db2.gz VPTNUPXHJUNCJR-SFHVURJKSA-N 2 2 341.842 4.472 20 10 EICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240304 1053655286 /nfs/dbraw/zinc/65/52/86/1053655286.db2.gz OSPZUWUCLMNJKX-MAUKXSAKSA-N 2 2 336.907 4.208 20 10 EICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240304 1053655291 /nfs/dbraw/zinc/65/52/91/1053655291.db2.gz OSPZUWUCLMNJKX-MAUKXSAKSA-N 2 2 336.907 4.208 20 10 EICDLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640268 1059705878 /nfs/dbraw/zinc/70/58/78/1059705878.db2.gz BNPDNRQLUQFZLV-JKSUJKDBSA-N 2 2 330.447 4.093 20 10 EICDLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1O ZINC000379640268 1059705898 /nfs/dbraw/zinc/70/58/98/1059705898.db2.gz BNPDNRQLUQFZLV-JKSUJKDBSA-N 2 2 330.447 4.093 20 10 EICDLP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(O)c1 ZINC000756570421 1023613612 /nfs/dbraw/zinc/61/36/12/1023613612.db2.gz BPEDXFIZQSILKC-DLBZAZTESA-N 2 2 326.484 4.481 20 10 EICDLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000152102760 1042652740 /nfs/dbraw/zinc/65/27/40/1042652740.db2.gz JPCGCHYDLJRUES-UHFFFAOYSA-N 2 2 327.472 4.032 20 10 EICDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000792285877 1045884451 /nfs/dbraw/zinc/88/44/51/1045884451.db2.gz KLVGLMOEXFOIPH-QGZVFWFLSA-N 2 2 334.467 4.098 20 10 EICDLP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1O ZINC000806130280 1047155336 /nfs/dbraw/zinc/15/53/36/1047155336.db2.gz USYCEZFPASYPTK-GOSISDBHSA-N 2 2 332.875 4.348 20 10 EICDLP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1O ZINC000806141309 1047167345 /nfs/dbraw/zinc/16/73/45/1047167345.db2.gz IGDVUYVSEOVCPG-SFHVURJKSA-N 2 2 336.907 4.493 20 10 EICDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000815570502 1048507179 /nfs/dbraw/zinc/50/71/79/1048507179.db2.gz DOIBKDSOGATZMU-GFCCVEGCSA-N 2 2 342.405 4.079 20 10 EICDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000815562943 1048510238 /nfs/dbraw/zinc/51/02/38/1048510238.db2.gz QBMIHVUSDVYCAH-OAQYLSRUSA-N 2 2 349.478 4.333 20 10 EICDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000809755586 1048519329 /nfs/dbraw/zinc/51/93/29/1048519329.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 2 2 335.879 4.025 20 10 EICDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000809755586 1048519341 /nfs/dbraw/zinc/51/93/41/1048519341.db2.gz LXILWFKSXPKNNL-UHFFFAOYSA-N 2 2 335.879 4.025 20 10 EICDLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223611 1048692794 /nfs/dbraw/zinc/69/27/94/1048692794.db2.gz OKHYZPNUUDEXOA-MRXNPFEDSA-N 2 2 344.421 4.325 20 10 EICDLP Oc1cc(F)c(Cl)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000816555683 1048834577 /nfs/dbraw/zinc/83/45/77/1048834577.db2.gz MRTCREOHGACXRU-UHFFFAOYSA-N 2 2 340.870 4.071 20 10 EICDLP CC[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173274313 1050391897 /nfs/dbraw/zinc/39/18/97/1050391897.db2.gz PKEACGZMXCHFMA-MXKXFIQMSA-N 2 2 340.467 4.007 20 10 EICDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001179169362 1050646962 /nfs/dbraw/zinc/64/69/62/1050646962.db2.gz YZQKGOLKVRGVDA-NRFANRHFSA-N 2 2 329.532 4.029 20 10 EICDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001179169362 1050646976 /nfs/dbraw/zinc/64/69/76/1050646976.db2.gz YZQKGOLKVRGVDA-NRFANRHFSA-N 2 2 329.532 4.029 20 10 EICDLP C[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CC[N@H+](Cc2ccccc2)C1 ZINC001181316341 1051207754 /nfs/dbraw/zinc/20/77/54/1051207754.db2.gz YPTMZOYXMPPUDF-HXUWFJFHSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC001181316341 1051207764 /nfs/dbraw/zinc/20/77/64/1051207764.db2.gz YPTMZOYXMPPUDF-HXUWFJFHSA-N 2 2 344.886 4.047 20 10 EICDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774213509 1051497323 /nfs/dbraw/zinc/49/73/23/1051497323.db2.gz OAKARJXDXSKEBH-TUAOUCFPSA-N 2 2 331.287 4.222 20 10 EICDLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccccc1O ZINC000775514092 1051661994 /nfs/dbraw/zinc/66/19/94/1051661994.db2.gz VTHCIRACBVUINX-OALUTQOASA-N 2 2 335.451 4.150 20 10 EICDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2ccccc2c1O ZINC000185325619 1052582815 /nfs/dbraw/zinc/58/28/15/1052582815.db2.gz PAOHGWWOGZZBIT-MRXNPFEDSA-N 2 2 335.451 4.483 20 10 EICDLP COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000185447520 1052607285 /nfs/dbraw/zinc/60/72/85/1052607285.db2.gz GLUCMBUGCNUGJD-HZPDHXFCSA-N 2 2 342.483 4.181 20 10 EICDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N(C)C)cc1 ZINC000177806470 1021712507 /nfs/dbraw/zinc/71/25/07/1021712507.db2.gz RYXKRWZANRDCLW-NRFANRHFSA-N 2 2 334.467 4.179 20 10 EICDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727645430 1043256018 /nfs/dbraw/zinc/25/60/18/1043256018.db2.gz JXXGGEFSNUVJMQ-OAQYLSRUSA-N 2 2 349.478 4.460 20 10 EICDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000792285876 1045883436 /nfs/dbraw/zinc/88/34/36/1045883436.db2.gz KLVGLMOEXFOIPH-KRWDZBQOSA-N 2 2 334.467 4.098 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000808679419 1048049526 /nfs/dbraw/zinc/04/95/26/1048049526.db2.gz ONYJHSRXMMFTAK-CZUORRHYSA-N 2 2 335.879 4.316 20 10 EICDLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815589943 1048527003 /nfs/dbraw/zinc/52/70/03/1048527003.db2.gz HSXXYHIDCYYQPD-LBPRGKRZSA-N 2 2 344.421 4.325 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209961 1048706357 /nfs/dbraw/zinc/70/63/57/1048706357.db2.gz XSKJYFWJXYFSJN-ARFHVFGLSA-N 2 2 342.405 4.079 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209961 1048706367 /nfs/dbraw/zinc/70/63/67/1048706367.db2.gz XSKJYFWJXYFSJN-ARFHVFGLSA-N 2 2 342.405 4.079 20 10 EICDLP Oc1c(F)cc(Cl)cc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC001177737068 1050289076 /nfs/dbraw/zinc/28/90/76/1050289076.db2.gz JLCLIXHGKJDISP-UHFFFAOYSA-N 2 2 342.886 4.321 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1O ZINC000185658554 1052666147 /nfs/dbraw/zinc/66/61/47/1052666147.db2.gz OKWLJQIYSNXCBS-JTDSTZFVSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1O ZINC000185658554 1052666150 /nfs/dbraw/zinc/66/61/50/1052666150.db2.gz OKWLJQIYSNXCBS-JTDSTZFVSA-N 2 2 342.458 4.235 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490688 1054498990 /nfs/dbraw/zinc/49/89/90/1054498990.db2.gz LVGFHFKAJHLFLV-RYUDHWBXSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490688 1054498996 /nfs/dbraw/zinc/49/89/96/1054498996.db2.gz LVGFHFKAJHLFLV-RYUDHWBXSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379649815 1059748785 /nfs/dbraw/zinc/74/87/85/1059748785.db2.gz PUGPFGWSOHKWKV-WBVHZDCISA-N 2 2 344.886 4.188 20 10 EICDLP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379649815 1059748822 /nfs/dbraw/zinc/74/88/22/1059748822.db2.gz PUGPFGWSOHKWKV-WBVHZDCISA-N 2 2 344.886 4.188 20 10 EICDLP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000177805918 1021712657 /nfs/dbraw/zinc/71/26/57/1021712657.db2.gz VITZJHQPXSBALO-QGZVFWFLSA-N 2 2 334.467 4.179 20 10 EICDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CCC2 ZINC000363858605 1022863494 /nfs/dbraw/zinc/86/34/94/1022863494.db2.gz DYSVHYBBFAVVLU-MAUKXSAKSA-N 2 2 339.483 4.004 20 10 EICDLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1C ZINC000273446117 1037467792 /nfs/dbraw/zinc/46/77/92/1037467792.db2.gz ZZDIEGAAJFJEPW-HNNXBMFYSA-N 2 2 339.414 4.185 20 10 EICDLP CCN(CC)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000740003956 1045174622 /nfs/dbraw/zinc/17/46/22/1045174622.db2.gz FELSTFCBEMQAFY-LJQANCHMSA-N 2 2 346.494 4.073 20 10 EICDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2O)CC1 ZINC000809767065 1048500230 /nfs/dbraw/zinc/50/02/30/1048500230.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2O)CC1 ZINC000809767065 1048500244 /nfs/dbraw/zinc/50/02/44/1048500244.db2.gz WWXDIKBYGIWMCO-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP Oc1c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc2ccccc21 ZINC000816539185 1048826684 /nfs/dbraw/zinc/82/66/84/1048826684.db2.gz VOUODESPCOAWIU-UHFFFAOYSA-N 2 2 329.403 4.021 20 10 EICDLP C[C@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942500 1049061152 /nfs/dbraw/zinc/06/11/52/1049061152.db2.gz PANPIQZZWQOHRS-ZLIFDBKOSA-N 2 2 347.553 4.029 20 10 EICDLP C[C@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942498 1049062272 /nfs/dbraw/zinc/06/22/72/1049062272.db2.gz PANPIQZZWQOHRS-JCURWCKSSA-N 2 2 347.553 4.029 20 10 EICDLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001199179271 1054359619 /nfs/dbraw/zinc/35/96/19/1054359619.db2.gz WULVLUAXOSESGS-UHFFFAOYSA-N 2 2 344.462 4.021 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490687 1054498682 /nfs/dbraw/zinc/49/86/82/1054498682.db2.gz LVGFHFKAJHLFLV-NWDGAFQWSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000858490687 1054498688 /nfs/dbraw/zinc/49/86/88/1054498688.db2.gz LVGFHFKAJHLFLV-NWDGAFQWSA-N 2 2 331.287 4.082 20 10 EICDLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000766304565 1059305202 /nfs/dbraw/zinc/30/52/02/1059305202.db2.gz NSQNNIVOYRIKOF-LAUBAEHRSA-N 2 2 348.494 4.121 20 10 EICDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162846051 1024951844 /nfs/dbraw/zinc/95/18/44/1024951844.db2.gz QRQCJMVNNZEYBF-QGZVFWFLSA-N 2 2 326.488 4.081 20 10 EICDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1F ZINC000185134764 1030115582 /nfs/dbraw/zinc/11/55/82/1030115582.db2.gz KCTQLMOUVZTXCD-LBPRGKRZSA-N 2 2 343.377 4.015 20 10 EICDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)ccc1O ZINC000185134165 1030116138 /nfs/dbraw/zinc/11/61/38/1030116138.db2.gz AAAJWXBIMZIVJV-GFCCVEGCSA-N 2 2 345.805 4.221 20 10 EICDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185675611 1030210499 /nfs/dbraw/zinc/21/04/99/1030210499.db2.gz RDEWMZHONOBWQK-KGLIPLIRSA-N 2 2 339.414 4.437 20 10 EICDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885399 /nfs/dbraw/zinc/88/53/99/1045885399.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885395 /nfs/dbraw/zinc/88/53/95/1045885395.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885405 /nfs/dbraw/zinc/88/54/05/1045885405.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769149000 1045885412 /nfs/dbraw/zinc/88/54/12/1045885412.db2.gz WQJYCVKUNHZAFJ-HOTGVXAUSA-N 2 2 336.907 4.132 20 10 EICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000808676278 1048046562 /nfs/dbraw/zinc/04/65/62/1048046562.db2.gz JXLQQULKSQEUPH-CQSZACIVSA-N 2 2 345.874 4.069 20 10 EICDLP Cc1cc(Cl)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1O ZINC000809749365 1048517005 /nfs/dbraw/zinc/51/70/05/1048517005.db2.gz MZTULOKDTTXLPB-UHFFFAOYSA-N 2 2 347.890 4.243 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209962 1048707048 /nfs/dbraw/zinc/70/70/48/1048707048.db2.gz XSKJYFWJXYFSJN-HRCADAONSA-N 2 2 342.405 4.079 20 10 EICDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209962 1048707064 /nfs/dbraw/zinc/70/70/64/1048707064.db2.gz XSKJYFWJXYFSJN-HRCADAONSA-N 2 2 342.405 4.079 20 10 EICDLP Oc1c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc2ccccc21 ZINC000816611394 1048843298 /nfs/dbraw/zinc/84/32/98/1048843298.db2.gz OTJPFDOJJDJQQB-UHFFFAOYSA-N 2 2 349.478 4.434 20 10 EICDLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938599 1049061965 /nfs/dbraw/zinc/06/19/65/1049061965.db2.gz ODJKGUVOGQHGJF-DNVCBOLYSA-N 2 2 337.467 4.158 20 10 EICDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000817984819 1049080982 /nfs/dbraw/zinc/08/09/82/1049080982.db2.gz ANNMXHGZXNTRDA-WDEREUQCSA-N 2 2 329.271 4.024 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001179044653 1050613185 /nfs/dbraw/zinc/61/31/85/1050613185.db2.gz MCKCNBLHOBTZKD-FGZHOGPDSA-N 2 2 343.559 4.420 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001179044653 1050613189 /nfs/dbraw/zinc/61/31/89/1050613189.db2.gz MCKCNBLHOBTZKD-FGZHOGPDSA-N 2 2 343.559 4.420 20 10 EICDLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000775499681 1051624064 /nfs/dbraw/zinc/62/40/64/1051624064.db2.gz TWTBEDDYJQLQQU-INIZCTEOSA-N 2 2 333.863 4.374 20 10 EICDLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805668 1053408433 /nfs/dbraw/zinc/40/84/33/1053408433.db2.gz YKBSQEXBELIKPA-VQTJNVASSA-N 2 2 349.478 4.459 20 10 EICDLP CCN(C)c1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000765250417 1053476497 /nfs/dbraw/zinc/47/64/97/1053476497.db2.gz LZYUACAXCXZFHJ-LPHOPBHVSA-N 2 2 328.504 4.105 20 10 EICDLP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000177805932 1021711773 /nfs/dbraw/zinc/71/17/73/1021711773.db2.gz VITZJHQPXSBALO-KRWDZBQOSA-N 2 2 334.467 4.179 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1O ZINC000398094807 1023682294 /nfs/dbraw/zinc/68/22/94/1023682294.db2.gz KHIPNVUPMQMDOW-GUXCAODWSA-N 2 2 342.458 4.093 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1O ZINC000398094807 1023682305 /nfs/dbraw/zinc/68/23/05/1023682305.db2.gz KHIPNVUPMQMDOW-GUXCAODWSA-N 2 2 342.458 4.093 20 10 EICDLP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)[nH+]1 ZINC000185477579 1030157417 /nfs/dbraw/zinc/15/74/17/1030157417.db2.gz ZJOMMGIMRLAAGV-AWEZNQCLSA-N 2 2 345.874 4.069 20 10 EICDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171377553 1037363023 /nfs/dbraw/zinc/36/30/23/1037363023.db2.gz PZNNQGDLFYGEGI-KRWDZBQOSA-N 2 2 346.478 4.106 20 10 EICDLP CCN(CC)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000740003955 1045174276 /nfs/dbraw/zinc/17/42/76/1045174276.db2.gz FELSTFCBEMQAFY-IBGZPJMESA-N 2 2 346.494 4.073 20 10 EICDLP Oc1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc2ccccc21 ZINC000816534117 1048825367 /nfs/dbraw/zinc/82/53/67/1048825367.db2.gz XGEANPFWBDCEKZ-UHFFFAOYSA-N 2 2 343.430 4.080 20 10 EICDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000817984816 1049077420 /nfs/dbraw/zinc/07/74/20/1049077420.db2.gz ANNMXHGZXNTRDA-GHMZBOCLSA-N 2 2 329.271 4.024 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001179044654 1050613499 /nfs/dbraw/zinc/61/34/99/1050613499.db2.gz MCKCNBLHOBTZKD-VXKWHMMOSA-N 2 2 343.559 4.420 20 10 EICDLP CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001179044654 1050613503 /nfs/dbraw/zinc/61/35/03/1050613503.db2.gz MCKCNBLHOBTZKD-VXKWHMMOSA-N 2 2 343.559 4.420 20 10 EICDLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493486 1051604078 /nfs/dbraw/zinc/60/40/78/1051604078.db2.gz TVTZBEYMFKIOOB-RDJZCZTQSA-N 2 2 335.879 4.398 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245465 1052550306 /nfs/dbraw/zinc/55/03/06/1052550306.db2.gz WVWHRIYITGSNNP-GJZGRUSLSA-N 2 2 348.487 4.156 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1O ZINC000185245465 1052550309 /nfs/dbraw/zinc/55/03/09/1052550309.db2.gz WVWHRIYITGSNNP-GJZGRUSLSA-N 2 2 348.487 4.156 20 10 EICDLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(C)cc1O ZINC000794805665 1053408623 /nfs/dbraw/zinc/40/86/23/1053408623.db2.gz YKBSQEXBELIKPA-PMACEKPBSA-N 2 2 349.478 4.459 20 10 EICDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)cc1 ZINC000765260769 1053479013 /nfs/dbraw/zinc/47/90/13/1053479013.db2.gz SFTXPQFGQTWMIJ-GOSISDBHSA-N 2 2 326.488 4.004 20 10 EICDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000765255987 1053483155 /nfs/dbraw/zinc/48/31/55/1053483155.db2.gz BYWUNGYCWMSIGP-KRWDZBQOSA-N 2 2 344.478 4.144 20 10 EICDLP Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001199046025 1054332720 /nfs/dbraw/zinc/33/27/20/1054332720.db2.gz ZYPUHGPSPYFHFO-UHFFFAOYSA-N 2 2 348.849 4.070 20 10 EICDLP Oc1c(F)cc(Cl)cc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC001200879026 1054566014 /nfs/dbraw/zinc/56/60/14/1054566014.db2.gz DAMWLVULNAAAQC-UHFFFAOYSA-N 2 2 340.870 4.071 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490459 522719659 /nfs/dbraw/zinc/71/96/59/522719659.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 2 2 343.298 4.367 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490459 522719662 /nfs/dbraw/zinc/71/96/62/522719662.db2.gz OPWBUPHLMFLMAJ-WWGRRREGSA-N 2 2 343.298 4.367 20 10 EICDLP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cc(F)cc(F)c1O ZINC000756532390 1023382653 /nfs/dbraw/zinc/38/26/53/1023382653.db2.gz DYCIQSZHAAFNNS-OAHLLOKOSA-N 2 2 340.458 4.367 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1O ZINC000808681406 1048034260 /nfs/dbraw/zinc/03/42/60/1048034260.db2.gz ALGBJAWKNJUVEI-AWEZNQCLSA-N 2 2 341.842 4.391 20 10 EICDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000815562942 1048509643 /nfs/dbraw/zinc/50/96/43/1048509643.db2.gz QBMIHVUSDVYCAH-NRFANRHFSA-N 2 2 349.478 4.333 20 10 EICDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)s1 ZINC000817942780 1049060732 /nfs/dbraw/zinc/06/07/32/1049060732.db2.gz QYNUEXOVBKSRNM-GJZGRUSLSA-N 2 2 337.920 4.208 20 10 EICDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774141974 1051493589 /nfs/dbraw/zinc/49/35/89/1051493589.db2.gz FNHYVHCSPITJJE-NSHDSACASA-N 2 2 343.298 4.367 20 10 EICDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774213503 1051497252 /nfs/dbraw/zinc/49/72/52/1051497252.db2.gz OAKARJXDXSKEBH-QJPTWQEYSA-N 2 2 331.287 4.222 20 10 EICDLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000775493485 1051603774 /nfs/dbraw/zinc/60/37/74/1051603774.db2.gz TVTZBEYMFKIOOB-NVXWUHKLSA-N 2 2 335.879 4.398 20 10 EICDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1O ZINC000185469379 1052610929 /nfs/dbraw/zinc/61/09/29/1052610929.db2.gz VQBLCFOMKHZVQV-HOTGVXAUSA-N 2 2 342.458 4.408 20 10 EICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240306 1053655984 /nfs/dbraw/zinc/65/59/84/1053655984.db2.gz OSPZUWUCLMNJKX-QAPCUYQASA-N 2 2 336.907 4.208 20 10 EICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1O ZINC000853240306 1053655988 /nfs/dbraw/zinc/65/59/88/1053655988.db2.gz OSPZUWUCLMNJKX-QAPCUYQASA-N 2 2 336.907 4.208 20 10 EICDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCCC2)cc1 ZINC000863542810 1055228020 /nfs/dbraw/zinc/22/80/20/1055228020.db2.gz ZXGQMWYUKDHWGX-YLJYHZDGSA-N 2 2 327.516 4.002 20 10 EICDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921800337 1056585168 /nfs/dbraw/zinc/58/51/68/1056585168.db2.gz WRYHFCRXTIZKBO-INIZCTEOSA-N 2 2 333.435 4.048 20 10 EICDLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(-c2c[nH+]cn2C)c1 ZINC001169693718 1060903322 /nfs/dbraw/zinc/90/33/22/1060903322.db2.gz YXGUEHLGWBEDDE-LJQANCHMSA-N 2 2 332.451 4.327 20 10 EICDLP C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310108600 1024350290 /nfs/dbraw/zinc/35/02/90/1024350290.db2.gz DQWQGWCIMOVFTQ-YJBOKZPZSA-N 2 2 344.886 4.046 20 10 EICDLP C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310108600 1024350311 /nfs/dbraw/zinc/35/03/11/1024350311.db2.gz DQWQGWCIMOVFTQ-YJBOKZPZSA-N 2 2 344.886 4.046 20 10 EICDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1O ZINC000192709395 1030714464 /nfs/dbraw/zinc/71/44/64/1030714464.db2.gz OFZBVWYCSJSGFR-MRXNPFEDSA-N 2 2 347.462 4.260 20 10 EICDLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(C)cc1O ZINC000280044437 1035144760 /nfs/dbraw/zinc/14/47/60/1035144760.db2.gz JFBJDNWGVNAATQ-FQEVSTJZSA-N 2 2 335.451 4.186 20 10 EICDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593640 1047242160 /nfs/dbraw/zinc/24/21/60/1047242160.db2.gz HEVWHMDXGMMTQI-UONOGXRCSA-N 2 2 344.421 4.182 20 10 EICDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788593640 1047242175 /nfs/dbraw/zinc/24/21/75/1047242175.db2.gz HEVWHMDXGMMTQI-UONOGXRCSA-N 2 2 344.421 4.182 20 10 EICDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000815570503 1048508084 /nfs/dbraw/zinc/50/80/84/1048508084.db2.gz DOIBKDSOGATZMU-LBPRGKRZSA-N 2 2 342.405 4.079 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209964 1048705590 /nfs/dbraw/zinc/70/55/90/1048705590.db2.gz XSKJYFWJXYFSJN-XHSDSOJGSA-N 2 2 342.405 4.079 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1O ZINC000810209964 1048705613 /nfs/dbraw/zinc/70/56/13/1048705613.db2.gz XSKJYFWJXYFSJN-XHSDSOJGSA-N 2 2 342.405 4.079 20 10 EICDLP Oc1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000816555918 1048834429 /nfs/dbraw/zinc/83/44/29/1048834429.db2.gz UHAFDAOKSOCKNJ-UHFFFAOYSA-N 2 2 340.870 4.071 20 10 EICDLP C[C@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccsc2S1 ZINC000817942499 1049061626 /nfs/dbraw/zinc/06/16/26/1049061626.db2.gz PANPIQZZWQOHRS-VUCTXSBTSA-N 2 2 347.553 4.029 20 10 EICDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955398 1049066383 /nfs/dbraw/zinc/06/63/83/1049066383.db2.gz XPGUEBPHUVNLTB-OXJNMPFZSA-N 2 2 341.474 4.167 20 10 EICDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)[nH+]1 ZINC001179937840 1050823442 /nfs/dbraw/zinc/82/34/42/1050823442.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 2 2 345.874 4.134 20 10 EICDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)[nH+]1 ZINC001179937840 1050823445 /nfs/dbraw/zinc/82/34/45/1050823445.db2.gz PNRDHGDWWVXOFK-INIZCTEOSA-N 2 2 345.874 4.134 20 10 EICDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774141972 1051492874 /nfs/dbraw/zinc/49/28/74/1051492874.db2.gz FNHYVHCSPITJJE-LLVKDONJSA-N 2 2 343.298 4.367 20 10 EICDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185165448 1052507194 /nfs/dbraw/zinc/50/71/94/1052507194.db2.gz KFVSCURWNGVGTO-MRXNPFEDSA-N 2 2 347.462 4.308 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1O ZINC000185546620 1052636538 /nfs/dbraw/zinc/63/65/38/1052636538.db2.gz AMFHYNAIJRSGRS-KSMMKXTCSA-N 2 2 348.487 4.327 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)cc1O ZINC000185546620 1052636549 /nfs/dbraw/zinc/63/65/49/1052636549.db2.gz AMFHYNAIJRSGRS-KSMMKXTCSA-N 2 2 348.487 4.327 20 10 EICDLP C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379649813 1059746705 /nfs/dbraw/zinc/74/67/05/1059746705.db2.gz PUGPFGWSOHKWKV-NVXWUHKLSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379649813 1059746725 /nfs/dbraw/zinc/74/67/25/1059746725.db2.gz PUGPFGWSOHKWKV-NVXWUHKLSA-N 2 2 344.886 4.188 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208056 1023001383 /nfs/dbraw/zinc/00/13/83/1023001383.db2.gz NSJWNWNQGQRNPL-FUHWJXTLSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208056 1023001394 /nfs/dbraw/zinc/00/13/94/1023001394.db2.gz NSJWNWNQGQRNPL-FUHWJXTLSA-N 2 2 342.458 4.094 20 10 EICDLP Cc1ccc(N2CCC([NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)[nH+]c1 ZINC000185539382 1030200977 /nfs/dbraw/zinc/20/09/77/1030200977.db2.gz NDWCAPPNXATMTI-CQSZACIVSA-N 2 2 345.874 4.069 20 10 EICDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2oc3ccccc3c2cc1O ZINC000767753660 1045632054 /nfs/dbraw/zinc/63/20/54/1045632054.db2.gz DNECJTGQKMOUNB-UHFFFAOYSA-N 2 2 335.407 4.010 20 10 EICDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2oc3ccccc3c2cc1O ZINC000767753660 1045632074 /nfs/dbraw/zinc/63/20/74/1045632074.db2.gz DNECJTGQKMOUNB-UHFFFAOYSA-N 2 2 335.407 4.010 20 10 EICDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857887 /nfs/dbraw/zinc/85/78/87/1050857887.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857892 /nfs/dbraw/zinc/85/78/92/1050857892.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857897 /nfs/dbraw/zinc/85/78/97/1050857897.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001180029651 1050857900 /nfs/dbraw/zinc/85/79/00/1050857900.db2.gz DLXYZLCNKWAMSQ-HZPDHXFCSA-N 2 2 336.907 4.132 20 10 EICDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185469399 1052610963 /nfs/dbraw/zinc/61/09/63/1052610963.db2.gz VQBLCFOMKHZVQV-JKSUJKDBSA-N 2 2 342.458 4.408 20 10 EICDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000794836472 1053478426 /nfs/dbraw/zinc/47/84/26/1053478426.db2.gz OMAJOLMOAHAZHC-PNESKVBLSA-N 2 2 343.298 4.367 20 10 EICDLP CCCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000873010345 1054476288 /nfs/dbraw/zinc/47/62/88/1054476288.db2.gz DSXZUEYHLBHOOM-UHFFFAOYSA-N 2 2 349.478 4.318 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490456 522719031 /nfs/dbraw/zinc/71/90/31/522719031.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 2 2 343.298 4.367 20 10 EICDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc(Cl)c1O ZINC000367490456 522719042 /nfs/dbraw/zinc/71/90/42/522719042.db2.gz OPWBUPHLMFLMAJ-IOASZLSFSA-N 2 2 343.298 4.367 20 10 EICDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccccc1O ZINC000376323447 1022171398 /nfs/dbraw/zinc/17/13/98/1022171398.db2.gz IGNRTDSCROPSQR-GOSISDBHSA-N 2 2 330.497 4.159 20 10 EICDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N(C)C)cc1 ZINC000177806481 1022457045 /nfs/dbraw/zinc/45/70/45/1022457045.db2.gz RYXKRWZANRDCLW-OAQYLSRUSA-N 2 2 334.467 4.179 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208058 1023001934 /nfs/dbraw/zinc/00/19/34/1023001934.db2.gz NSJWNWNQGQRNPL-WMZOPIPTSA-N 2 2 342.458 4.094 20 10 EICDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000311208058 1023001951 /nfs/dbraw/zinc/00/19/51/1023001951.db2.gz NSJWNWNQGQRNPL-WMZOPIPTSA-N 2 2 342.458 4.094 20 10 EICDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000727645429 1043255867 /nfs/dbraw/zinc/25/58/67/1043255867.db2.gz JXXGGEFSNUVJMQ-NRFANRHFSA-N 2 2 349.478 4.460 20 10 EICDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1O ZINC000808679420 1048048135 /nfs/dbraw/zinc/04/81/35/1048048135.db2.gz ONYJHSRXMMFTAK-XJKSGUPXSA-N 2 2 335.879 4.316 20 10 EICDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000237573274 1049627481 /nfs/dbraw/zinc/62/74/81/1049627481.db2.gz CMWYPMFIINLKTD-BEFAXECRSA-N 2 2 344.886 4.188 20 10 EICDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775201064 1050850104 /nfs/dbraw/zinc/85/01/04/1050850104.db2.gz BOBRBZXLFSZVFR-UHFFFAOYSA-N 2 2 346.858 4.101 20 10 EICDLP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)C[NH+]1CCCC1 ZINC000774133105 1051477866 /nfs/dbraw/zinc/47/78/66/1051477866.db2.gz WKIFMHNRVYTRSB-NEPJUHHUSA-N 2 2 331.287 4.082 20 10 EICDLP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561802 1051807724 /nfs/dbraw/zinc/80/77/24/1051807724.db2.gz ZVPQGKOYCMXKKF-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561802 1051807726 /nfs/dbraw/zinc/80/77/26/1051807726.db2.gz ZVPQGKOYCMXKKF-UHFFFAOYSA-N 2 2 344.886 4.142 20 10 EICDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC001184265622 1051980807 /nfs/dbraw/zinc/98/08/07/1051980807.db2.gz UCLIDKRZJGETFW-KBXCAEBGSA-N 2 2 336.907 4.178 20 10 EICDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001198959274 1054314240 /nfs/dbraw/zinc/31/42/40/1054314240.db2.gz MIJQBMMKNMASIA-UHFFFAOYSA-N 2 2 344.886 4.108 20 10 EICDLP CC(C)[NH2+]c1ccc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC001201498184 1054820006 /nfs/dbraw/zinc/82/00/06/1054820006.db2.gz RGDBFAOTCHFLKH-UHFFFAOYSA-N 2 2 342.462 4.141 20 10 EICDLP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000776216762 1054928165 /nfs/dbraw/zinc/92/81/65/1054928165.db2.gz FPTOQEQNZIBXMY-GOSISDBHSA-N 2 2 346.478 4.323 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875244 1056040388 /nfs/dbraw/zinc/04/03/88/1056040388.db2.gz YRDKJZGUSKONEY-RXVVDRJESA-N 2 2 341.543 4.202 20 10 EICDLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCCC2)cc1 ZINC000765875244 1056040392 /nfs/dbraw/zinc/04/03/92/1056040392.db2.gz YRDKJZGUSKONEY-RXVVDRJESA-N 2 2 341.543 4.202 20 10 EICDLP