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]([NH2+]C1CCCCCCC1)c1ccccc1[O-] ZINC000019909985 590042790 /nfs/dbraw/zinc/04/27/90/590042790.db2.gz ACEPSSJRIVZYFB-CYBMUJFWSA-N 0 3 247.382 4.156 20 10 BICDHN C[C@H]([NH2+]C1CCCCCCC1)c1ccccc1[O-] ZINC000019909988 590043091 /nfs/dbraw/zinc/04/30/91/590043091.db2.gz ACEPSSJRIVZYFB-ZDUSSCGKSA-N 0 3 247.382 4.156 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000019945659 590053891 /nfs/dbraw/zinc/05/38/91/590053891.db2.gz UQYKKCYVWKXZHF-AEGPPILISA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000019945665 590054151 /nfs/dbraw/zinc/05/41/51/590054151.db2.gz UQYKKCYVWKXZHF-QEJZJMRPSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1[O-] ZINC000020017131 590067139 /nfs/dbraw/zinc/06/71/39/590067139.db2.gz QJZLQAFJEVQROB-DZGCQCFKSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@H]([NH2+][C@@H](C)CCC(C)C)c1ccccc1[O-] ZINC000020017134 590067451 /nfs/dbraw/zinc/06/74/51/590067451.db2.gz QJZLQAFJEVQROB-ZFWWWQNUSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@@H]([NH2+][C@H](C)CCC(C)C)c1ccccc1[O-] ZINC000020017138 590067574 /nfs/dbraw/zinc/06/75/74/590067574.db2.gz QJZLQAFJEVQROB-UKRRQHHQSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@H]([NH2+][C@H](C)CCC(C)C)c1ccccc1[O-] ZINC000020017141 590067197 /nfs/dbraw/zinc/06/71/97/590067197.db2.gz QJZLQAFJEVQROB-HIFRSBDPSA-N 0 3 249.398 4.258 20 10 BICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)c([O-])c1 ZINC000020545962 590120561 /nfs/dbraw/zinc/12/05/61/590120561.db2.gz UWSCDNGDODVKSA-KGLIPLIRSA-N 0 3 249.398 4.176 20 10 BICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c([O-])c1 ZINC000020545963 590120191 /nfs/dbraw/zinc/12/01/91/590120191.db2.gz UWSCDNGDODVKSA-KBPBESRZSA-N 0 3 249.398 4.176 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c([O-])c1 ZINC000020545964 590120530 /nfs/dbraw/zinc/12/05/30/590120530.db2.gz UWSCDNGDODVKSA-ZIAGYGMSSA-N 0 3 249.398 4.176 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c([O-])c1 ZINC000020545965 590120208 /nfs/dbraw/zinc/12/02/08/590120208.db2.gz UWSCDNGDODVKSA-UONOGXRCSA-N 0 3 249.398 4.176 20 10 BICDHN CC(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020555895 590120780 /nfs/dbraw/zinc/12/07/80/590120780.db2.gz QNZCYNVJNPLPSN-KGLIPLIRSA-N 0 3 249.398 4.258 20 10 BICDHN CC(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020555898 590121054 /nfs/dbraw/zinc/12/10/54/590121054.db2.gz QNZCYNVJNPLPSN-KBPBESRZSA-N 0 3 249.398 4.258 20 10 BICDHN CC(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020555901 590121026 /nfs/dbraw/zinc/12/10/26/590121026.db2.gz QNZCYNVJNPLPSN-ZIAGYGMSSA-N 0 3 249.398 4.258 20 10 BICDHN CC(C)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020555904 590120927 /nfs/dbraw/zinc/12/09/27/590120927.db2.gz QNZCYNVJNPLPSN-UONOGXRCSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@@H]([NH2+]C1CCCCCC1)c1ccccc1[O-] ZINC000021787499 590229306 /nfs/dbraw/zinc/22/93/06/590229306.db2.gz NDWAXAVTOULKQF-OAHLLOKOSA-N 0 3 247.382 4.156 20 10 BICDHN CC[C@H]([NH2+]C1CCCCCC1)c1ccccc1[O-] ZINC000021787502 590229413 /nfs/dbraw/zinc/22/94/13/590229413.db2.gz NDWAXAVTOULKQF-HNNXBMFYSA-N 0 3 247.382 4.156 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]C2CCCCCC2)c([O-])c1 ZINC000021806926 590234441 /nfs/dbraw/zinc/23/44/41/590234441.db2.gz FAPHMEMJSREYGS-CYBMUJFWSA-N 0 3 247.382 4.074 20 10 BICDHN Cc1ccc([C@H](C)[NH2+]C2CCCCCC2)c([O-])c1 ZINC000021806929 582529583 /nfs/dbraw/zinc/52/95/83/582529583.db2.gz FAPHMEMJSREYGS-ZDUSSCGKSA-N 0 3 247.382 4.074 20 10 BICDHN CCCCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000021817492 590236176 /nfs/dbraw/zinc/23/61/76/590236176.db2.gz UNSWQEXPPNXWOQ-AWEZNQCLSA-N 0 3 235.371 4.013 20 10 BICDHN CCCCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000021817494 590236417 /nfs/dbraw/zinc/23/64/17/590236417.db2.gz UNSWQEXPPNXWOQ-CQSZACIVSA-N 0 3 235.371 4.013 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCCCCC2)c1 ZINC000035628771 633839274 /nfs/dbraw/zinc/83/92/74/633839274.db2.gz LDBKDBXJSCMTOI-CYBMUJFWSA-N 0 3 247.382 4.074 20 10 BICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCCCCC2)c1 ZINC000035628772 178804284 /nfs/dbraw/zinc/80/42/84/178804284.db2.gz LDBKDBXJSCMTOI-ZDUSSCGKSA-N 0 3 247.382 4.074 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c1 ZINC000035628775 178804073 /nfs/dbraw/zinc/80/40/73/178804073.db2.gz ALOPZFUMKDUUEF-UONOGXRCSA-N 0 3 249.398 4.176 20 10 BICDHN CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036792476 712495832 /nfs/dbraw/zinc/49/58/32/712495832.db2.gz VDMHFOXPVPBVNR-OLZOCXBDSA-N 0 3 235.371 4.012 20 10 BICDHN CCCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036792477 712495967 /nfs/dbraw/zinc/49/59/67/712495967.db2.gz VDMHFOXPVPBVNR-STQMWFEESA-N 0 3 235.371 4.012 20 10 BICDHN CCCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036792478 712495934 /nfs/dbraw/zinc/49/59/34/712495934.db2.gz VDMHFOXPVPBVNR-CHWSQXEVSA-N 0 3 235.371 4.012 20 10 BICDHN CCCCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036792479 712495989 /nfs/dbraw/zinc/49/59/89/712495989.db2.gz VDMHFOXPVPBVNR-QWHCGFSZSA-N 0 3 235.371 4.012 20 10 BICDHN CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037032241 712530402 /nfs/dbraw/zinc/53/04/02/712530402.db2.gz VBLIPPTUPOSQAK-GUTXKFCHSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037032243 712530338 /nfs/dbraw/zinc/53/03/38/712530338.db2.gz VBLIPPTUPOSQAK-GZBFAFLISA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000037254068 712560779 /nfs/dbraw/zinc/56/07/79/712560779.db2.gz ZHLYVIIMJOTJOG-GUTXKFCHSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000037254072 712560870 /nfs/dbraw/zinc/56/08/70/712560870.db2.gz ZHLYVIIMJOTJOG-YDHLFZDLSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+]CC1CCCCC1)c1ccccc1[O-] ZINC000037259469 712560896 /nfs/dbraw/zinc/56/08/96/712560896.db2.gz UVDMPXMBZHIKHA-HNNXBMFYSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1[O-] ZINC000037259471 712560764 /nfs/dbraw/zinc/56/07/64/712560764.db2.gz UVDMPXMBZHIKHA-OAHLLOKOSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@H]([NH2+]CCC1CCCC1)c1ccccc1[O-] ZINC000037739362 712753224 /nfs/dbraw/zinc/75/32/24/712753224.db2.gz ZEAUSCVDLFWSGU-HNNXBMFYSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@@H]([NH2+]CCC1CCCC1)c1ccccc1[O-] ZINC000037739363 712753293 /nfs/dbraw/zinc/75/32/93/712753293.db2.gz ZEAUSCVDLFWSGU-OAHLLOKOSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@H]([NH2+]CCC1CCCCC1)c1ccccc1[O-] ZINC000037739919 712753325 /nfs/dbraw/zinc/75/33/25/712753325.db2.gz QWKQTIPMYWCGNM-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@@H]([NH2+]CCC1CCCCC1)c1ccccc1[O-] ZINC000037739920 712753173 /nfs/dbraw/zinc/75/31/73/712753173.db2.gz QWKQTIPMYWCGNM-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN CCC[C@@H](CC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000050400248 643696800 /nfs/dbraw/zinc/69/68/00/643696800.db2.gz LWMITZWBUNRLRZ-OCCSQVGLSA-N 0 3 235.371 4.012 20 10 BICDHN CCC[C@H](CC)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000050400250 643698144 /nfs/dbraw/zinc/69/81/44/643698144.db2.gz LWMITZWBUNRLRZ-JSGCOSHPSA-N 0 3 235.371 4.012 20 10 BICDHN CCC[C@@H](CC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000050400252 643697444 /nfs/dbraw/zinc/69/74/44/643697444.db2.gz LWMITZWBUNRLRZ-TZMCWYRMSA-N 0 3 235.371 4.012 20 10 BICDHN CCC[C@H](CC)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000050400254 643698521 /nfs/dbraw/zinc/69/85/21/643698521.db2.gz LWMITZWBUNRLRZ-GXTWGEPZSA-N 0 3 235.371 4.012 20 10 BICDHN C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1ccccc1[O-] ZINC000052332803 632127940 /nfs/dbraw/zinc/12/79/40/632127940.db2.gz OKFFAYUECLCFID-STQMWFEESA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1ccccc1[O-] ZINC000052332806 632128608 /nfs/dbraw/zinc/12/86/08/632128608.db2.gz OKFFAYUECLCFID-QWHCGFSZSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCCCC1 ZINC000052332809 632127985 /nfs/dbraw/zinc/12/79/85/632127985.db2.gz OKFFAYUECLCFID-OLZOCXBDSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1ccccc1[O-] ZINC000052332812 632128455 /nfs/dbraw/zinc/12/84/55/632128455.db2.gz OKFFAYUECLCFID-CHWSQXEVSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1[O-] ZINC000070305681 643012633 /nfs/dbraw/zinc/01/26/33/643012633.db2.gz COIOYKZONMGJSG-WFASDCNBSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccccc1[O-] ZINC000070305682 643013264 /nfs/dbraw/zinc/01/32/64/643013264.db2.gz COIOYKZONMGJSG-SWLSCSKDSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1[O-] ZINC000070305683 643014624 /nfs/dbraw/zinc/01/46/24/643014624.db2.gz COIOYKZONMGJSG-DOMZBBRYSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccccc1[O-] ZINC000070305684 642428948 /nfs/dbraw/zinc/42/89/48/642428948.db2.gz COIOYKZONMGJSG-IUODEOHRSA-N 0 3 247.382 4.012 20 10 BICDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000071407714 178796100 /nfs/dbraw/zinc/79/61/00/178796100.db2.gz VHNACXRLDRGUNY-UHFFFAOYSA-N 0 3 249.398 4.005 20 10 BICDHN C[C@H]([NH2+]C1CCC(C)(C)CC1)c1ccccc1[O-] ZINC000079676819 644201772 /nfs/dbraw/zinc/20/17/72/644201772.db2.gz PLHQZXZWTVOOMO-LBPRGKRZSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+]C1CCC(C)(C)CC1)c1ccccc1[O-] ZINC000079676821 644201748 /nfs/dbraw/zinc/20/17/48/644201748.db2.gz PLHQZXZWTVOOMO-GFCCVEGCSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000085063417 643682165 /nfs/dbraw/zinc/68/21/65/643682165.db2.gz GEOVIOBMUPAFEB-MJBXVCDLSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000085063423 643683276 /nfs/dbraw/zinc/68/32/76/643683276.db2.gz GEOVIOBMUPAFEB-BFHYXJOUSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000088294965 644516438 /nfs/dbraw/zinc/51/64/38/644516438.db2.gz GBTIWXDOORGIAV-YUTCNCBUSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000088294970 644516676 /nfs/dbraw/zinc/51/66/76/644516676.db2.gz GBTIWXDOORGIAV-UBHSHLNASA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000088296327 641335068 /nfs/dbraw/zinc/33/50/68/641335068.db2.gz PISKFOJDWARFHG-GUTXKFCHSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000088296332 641335508 /nfs/dbraw/zinc/33/55/08/641335508.db2.gz PISKFOJDWARFHG-YDHLFZDLSA-N 0 3 249.398 4.258 20 10 BICDHN C[C@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccccc1[O-] ZINC000094323223 635290810 /nfs/dbraw/zinc/29/08/10/635290810.db2.gz IIJJWEAEMLJNLE-SWLSCSKDSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)c1ccccc1[O-] ZINC000094323224 635290871 /nfs/dbraw/zinc/29/08/71/635290871.db2.gz IIJJWEAEMLJNLE-IUODEOHRSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@H]([NH2+][C@H]1CCCCC1(C)C)c1ccccc1[O-] ZINC000094323225 635290310 /nfs/dbraw/zinc/29/03/10/635290310.db2.gz IIJJWEAEMLJNLE-WFASDCNBSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@H]1CCCCC1(C)C)c1ccccc1[O-] ZINC000094323226 635290113 /nfs/dbraw/zinc/29/01/13/635290113.db2.gz IIJJWEAEMLJNLE-DOMZBBRYSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+]CC1(C)CCCC1)c1ccccc1[O-] ZINC000111619499 588764796 /nfs/dbraw/zinc/76/47/96/588764796.db2.gz QIOXNRSJJXHEQX-AWEZNQCLSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@@H]([NH2+]CC1(C)CCCC1)c1ccccc1[O-] ZINC000111619502 588764857 /nfs/dbraw/zinc/76/48/57/588764857.db2.gz QIOXNRSJJXHEQX-CQSZACIVSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000149523746 638562997 /nfs/dbraw/zinc/56/29/97/638562997.db2.gz HELTWQAXTSLYHE-QWHCGFSZSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000149523965 638562968 /nfs/dbraw/zinc/56/29/68/638562968.db2.gz HELTWQAXTSLYHE-CHWSQXEVSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000149524172 638562621 /nfs/dbraw/zinc/56/26/21/638562621.db2.gz HELTWQAXTSLYHE-STQMWFEESA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)c1ccccc1[O-] ZINC000149524380 638561594 /nfs/dbraw/zinc/56/15/94/638561594.db2.gz HELTWQAXTSLYHE-OLZOCXBDSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1[O-] ZINC000160186814 711805993 /nfs/dbraw/zinc/80/59/93/711805993.db2.gz PDSOBKJOVJEPMH-OCCSQVGLSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1[O-] ZINC000160186947 711805913 /nfs/dbraw/zinc/80/59/13/711805913.db2.gz PDSOBKJOVJEPMH-TZMCWYRMSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1[O-] ZINC000160187086 711805908 /nfs/dbraw/zinc/80/59/08/711805908.db2.gz PDSOBKJOVJEPMH-JSGCOSHPSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1[O-] ZINC000160187226 711805945 /nfs/dbraw/zinc/80/59/45/711805945.db2.gz PDSOBKJOVJEPMH-GXTWGEPZSA-N 0 3 247.382 4.012 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000162669426 633036275 /nfs/dbraw/zinc/03/62/75/633036275.db2.gz PBRPWDGJMYPUAD-CHWSQXEVSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000162669499 634268389 /nfs/dbraw/zinc/26/83/89/634268389.db2.gz PBRPWDGJMYPUAD-OLZOCXBDSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000162669619 634268247 /nfs/dbraw/zinc/26/82/47/634268247.db2.gz PBRPWDGJMYPUAD-QWHCGFSZSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000162669705 634267577 /nfs/dbraw/zinc/26/75/77/634267577.db2.gz PBRPWDGJMYPUAD-STQMWFEESA-N 0 3 249.398 4.033 20 10 BICDHN CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000162712004 634301883 /nfs/dbraw/zinc/30/18/83/634301883.db2.gz HGUGNXYGSJKHNU-OCCSQVGLSA-N 0 3 249.398 4.115 20 10 BICDHN CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000162712135 634301360 /nfs/dbraw/zinc/30/13/60/634301360.db2.gz HGUGNXYGSJKHNU-TZMCWYRMSA-N 0 3 249.398 4.115 20 10 BICDHN CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000162712262 633036872 /nfs/dbraw/zinc/03/68/72/633036872.db2.gz HGUGNXYGSJKHNU-JSGCOSHPSA-N 0 3 249.398 4.115 20 10 BICDHN CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1ccccc1[O-] ZINC000162712390 633038567 /nfs/dbraw/zinc/03/85/67/633038567.db2.gz HGUGNXYGSJKHNU-GXTWGEPZSA-N 0 3 249.398 4.115 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000162713308 633037422 /nfs/dbraw/zinc/03/74/22/633037422.db2.gz ZICNLMZFLBQGOB-CHWSQXEVSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000162713439 633038103 /nfs/dbraw/zinc/03/81/03/633038103.db2.gz ZICNLMZFLBQGOB-OLZOCXBDSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)c([O-])c1 ZINC000162713564 634302903 /nfs/dbraw/zinc/30/29/03/634302903.db2.gz ZICNLMZFLBQGOB-QWHCGFSZSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)c([O-])c1 ZINC000162713678 634302003 /nfs/dbraw/zinc/30/20/03/634302003.db2.gz ZICNLMZFLBQGOB-STQMWFEESA-N 0 3 249.398 4.033 20 10 BICDHN CC[C@@H]([NH2+]CC(C)(C)C(C)C)c1ccccc1[O-] ZINC000219265853 592220879 /nfs/dbraw/zinc/22/08/79/592220879.db2.gz FMERSIBCXVDGSQ-CQSZACIVSA-N 0 3 249.398 4.115 20 10 BICDHN CC[C@H]([NH2+]CC(C)(C)C(C)C)c1ccccc1[O-] ZINC000219265901 592220705 /nfs/dbraw/zinc/22/07/05/592220705.db2.gz FMERSIBCXVDGSQ-AWEZNQCLSA-N 0 3 249.398 4.115 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000219270805 592221464 /nfs/dbraw/zinc/22/14/64/592221464.db2.gz FNOUCUIVYSQHEG-CYBMUJFWSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(C)C)c1 ZINC000219270848 592221259 /nfs/dbraw/zinc/22/12/59/592221259.db2.gz FNOUCUIVYSQHEG-ZDUSSCGKSA-N 0 3 249.398 4.033 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)C)c([O-])c1 ZINC000219274557 592221252 /nfs/dbraw/zinc/22/12/52/592221252.db2.gz HIUHGQBZFKWHTL-CYBMUJFWSA-N 0 3 249.398 4.033 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000222513157 583178865 /nfs/dbraw/zinc/17/88/65/583178865.db2.gz ZHLYVIIMJOTJOG-NFAWXSAZSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000222513268 583178723 /nfs/dbraw/zinc/17/87/23/583178723.db2.gz ZHLYVIIMJOTJOG-IPYPFGDCSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+]CCCC1CCCC1)c1ccccc1[O-] ZINC000223659968 592537594 /nfs/dbraw/zinc/53/75/94/592537594.db2.gz ABKMFSONKGDCHV-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@H]([NH2+]CCCC1CCCC1)c1ccccc1[O-] ZINC000223660024 592537342 /nfs/dbraw/zinc/53/73/42/592537342.db2.gz ABKMFSONKGDCHV-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccccc1[O-] ZINC000227311350 640827946 /nfs/dbraw/zinc/82/79/46/640827946.db2.gz XZXIWFFQIPGROW-MGPQQGTHSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)c1ccccc1[O-] ZINC000227311357 640828119 /nfs/dbraw/zinc/82/81/19/640828119.db2.gz XZXIWFFQIPGROW-HZSPNIEDSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccccc1[O-] ZINC000227311364 640827365 /nfs/dbraw/zinc/82/73/65/640827365.db2.gz XZXIWFFQIPGROW-MCIONIFRSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)c1ccccc1[O-] ZINC000227311370 640827667 /nfs/dbraw/zinc/82/76/67/640827667.db2.gz XZXIWFFQIPGROW-RDBSUJKOSA-N 0 3 247.382 4.012 20 10 BICDHN CCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCCC1 ZINC000228796022 640896072 /nfs/dbraw/zinc/89/60/72/640896072.db2.gz VECWTTQOUVBDFV-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN CCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCCC1 ZINC000228796036 640895965 /nfs/dbraw/zinc/89/59/65/640895965.db2.gz VECWTTQOUVBDFV-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@@H]([NH2+]CC1(C)CCCCC1)c1ccccc1[O-] ZINC000228798157 640895859 /nfs/dbraw/zinc/89/58/59/640895859.db2.gz WRQPIMQIQXKTSA-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@H]([NH2+]CC1(C)CCCCC1)c1ccccc1[O-] ZINC000228798167 640896381 /nfs/dbraw/zinc/89/63/81/640896381.db2.gz WRQPIMQIQXKTSA-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@@H]([NH2+]CC1(CC)CCC1)c1ccccc1[O-] ZINC000229558781 635475120 /nfs/dbraw/zinc/47/51/20/635475120.db2.gz JBDXLUYYAJIDIO-CQSZACIVSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@H]([NH2+]CC1(CC)CCC1)c1ccccc1[O-] ZINC000229558791 640966892 /nfs/dbraw/zinc/96/68/92/640966892.db2.gz JBDXLUYYAJIDIO-AWEZNQCLSA-N 0 3 247.382 4.013 20 10 BICDHN CCCC1(C[NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000229563711 640968082 /nfs/dbraw/zinc/96/80/82/640968082.db2.gz TWUQPGJGCLWXKE-AWEZNQCLSA-N 0 3 247.382 4.013 20 10 BICDHN CCCC1(C[NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000229563716 640968097 /nfs/dbraw/zinc/96/80/97/640968097.db2.gz TWUQPGJGCLWXKE-CQSZACIVSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000251306935 644801573 /nfs/dbraw/zinc/80/15/73/644801573.db2.gz UQYKKCYVWKXZHF-SNPRPXQTSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000251306936 644801604 /nfs/dbraw/zinc/80/16/04/644801604.db2.gz UQYKKCYVWKXZHF-VHDGCEQUSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000251645057 711764187 /nfs/dbraw/zinc/76/41/87/711764187.db2.gz GEOVIOBMUPAFEB-MCIONIFRSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000251645059 644814704 /nfs/dbraw/zinc/81/47/04/644814704.db2.gz GEOVIOBMUPAFEB-MGPQQGTHSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000251738641 644818271 /nfs/dbraw/zinc/81/82/71/644818271.db2.gz GBTIWXDOORGIAV-FPMFFAJLSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000251738643 644818939 /nfs/dbraw/zinc/81/89/39/644818939.db2.gz GBTIWXDOORGIAV-IACUBPJLSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC)c1ccccc1[O-] ZINC000251895903 644830365 /nfs/dbraw/zinc/83/03/65/644830365.db2.gz PISKFOJDWARFHG-GZBFAFLISA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)c1ccccc1[O-] ZINC000251895905 644831157 /nfs/dbraw/zinc/83/11/57/644831157.db2.gz PISKFOJDWARFHG-KCQAQPDRSA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000252418173 644848873 /nfs/dbraw/zinc/84/88/73/644848873.db2.gz VBLIPPTUPOSQAK-NFAWXSAZSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000252418174 644848821 /nfs/dbraw/zinc/84/88/21/644848821.db2.gz VBLIPPTUPOSQAK-UMVBOHGHSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)c1ccccc1[O-] ZINC000253150865 644939919 /nfs/dbraw/zinc/93/99/19/644939919.db2.gz GHISOBDUOTUUPU-UMVBOHGHSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CC[C@H](C)CC1)c1ccccc1[O-] ZINC000253150866 644940030 /nfs/dbraw/zinc/94/00/30/644940030.db2.gz GHISOBDUOTUUPU-YDHLFZDLSA-N 0 3 247.382 4.012 20 10 BICDHN CCCCCC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000303785820 644846063 /nfs/dbraw/zinc/84/60/63/644846063.db2.gz DMXRAIVQPPQGBX-UHFFFAOYSA-N 0 3 249.398 4.185 20 10 BICDHN CCCCCC[N@H+](CCC)Cc1ccccc1[O-] ZINC000303785820 644846060 /nfs/dbraw/zinc/84/60/60/644846060.db2.gz DMXRAIVQPPQGBX-UHFFFAOYSA-N 0 3 249.398 4.185 20 10 BICDHN C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccccc1[O-] ZINC000311100434 634220146 /nfs/dbraw/zinc/22/01/46/634220146.db2.gz TUCNPCRJGMXWPE-GFCCVEGCSA-N 0 3 249.398 4.115 20 10 BICDHN C[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccccc1[O-] ZINC000311100435 634220719 /nfs/dbraw/zinc/22/07/19/634220719.db2.gz TUCNPCRJGMXWPE-LBPRGKRZSA-N 0 3 249.398 4.115 20 10 BICDHN C[C@H](CCC(C)(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000386326371 711028517 /nfs/dbraw/zinc/02/85/17/711028517.db2.gz ZHAFDZLENZWLEK-CHWSQXEVSA-N 0 3 249.398 4.258 20 10 BICDHN C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000386326372 711028647 /nfs/dbraw/zinc/02/86/47/711028647.db2.gz ZHAFDZLENZWLEK-OLZOCXBDSA-N 0 3 249.398 4.258 20 10 BICDHN C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)c1ccccc1[O-] ZINC000386326373 711028354 /nfs/dbraw/zinc/02/83/54/711028354.db2.gz ZHAFDZLENZWLEK-QWHCGFSZSA-N 0 3 249.398 4.258 20 10 BICDHN C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000386326374 711027556 /nfs/dbraw/zinc/02/75/56/711027556.db2.gz ZHAFDZLENZWLEK-STQMWFEESA-N 0 3 249.398 4.258 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CC)c1ccccc1[O-] ZINC000388731065 711066784 /nfs/dbraw/zinc/06/67/84/711066784.db2.gz VKCQMFNUWKEALO-AEGPPILISA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CC)c1ccccc1[O-] ZINC000388731076 711066094 /nfs/dbraw/zinc/06/60/94/711066094.db2.gz VKCQMFNUWKEALO-QEJZJMRPSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@H]1CCC[C@H]1CC)c1ccccc1[O-] ZINC000388731078 711067131 /nfs/dbraw/zinc/06/71/31/711067131.db2.gz VKCQMFNUWKEALO-SNPRPXQTSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]1CC)c1ccccc1[O-] ZINC000388731079 711066022 /nfs/dbraw/zinc/06/60/22/711066022.db2.gz VKCQMFNUWKEALO-VHDGCEQUSA-N 0 3 247.382 4.012 20 10 BICDHN C[C@@H]([NH2+]CC1CCCCCC1)c1ccccc1[O-] ZINC000389427602 711078623 /nfs/dbraw/zinc/07/86/23/711078623.db2.gz DFEWKGWVWSAECU-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN C[C@H]([NH2+]CC1CCCCCC1)c1ccccc1[O-] ZINC000389427604 711078694 /nfs/dbraw/zinc/07/86/94/711078694.db2.gz DFEWKGWVWSAECU-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN CC(C)CC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000391155655 711137290 /nfs/dbraw/zinc/13/72/90/711137290.db2.gz APAIJRMZTJIVJO-CYBMUJFWSA-N 0 3 249.398 4.115 20 10 BICDHN CC(C)CC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000391155656 711136919 /nfs/dbraw/zinc/13/69/19/711136919.db2.gz APAIJRMZTJIVJO-ZDUSSCGKSA-N 0 3 249.398 4.115 20 10 BICDHN CCCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000391836945 711140383 /nfs/dbraw/zinc/14/03/83/711140383.db2.gz RJVLNNBXCAQMBZ-CYBMUJFWSA-N 0 3 247.382 4.013 20 10 BICDHN CCCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000391836947 711140052 /nfs/dbraw/zinc/14/00/52/711140052.db2.gz RJVLNNBXCAQMBZ-ZDUSSCGKSA-N 0 3 247.382 4.013 20 10 BICDHN CC[C@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1[O-] ZINC000398053272 711400617 /nfs/dbraw/zinc/40/06/17/711400617.db2.gz XHMOHSRXHNZAHW-DOMZBBRYSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@H](C)CCC1CC1)c1ccccc1[O-] ZINC000398053274 711401257 /nfs/dbraw/zinc/40/12/57/711401257.db2.gz XHMOHSRXHNZAHW-IUODEOHRSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1[O-] ZINC000398053276 711400601 /nfs/dbraw/zinc/40/06/01/711400601.db2.gz XHMOHSRXHNZAHW-SWLSCSKDSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]([NH2+][C@@H](C)CCC1CC1)c1ccccc1[O-] ZINC000398053277 711400865 /nfs/dbraw/zinc/40/08/65/711400865.db2.gz XHMOHSRXHNZAHW-WFASDCNBSA-N 0 3 247.382 4.012 20 10 BICDHN CCC[N@@H+](CC)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000727820927 583777518 /nfs/dbraw/zinc/77/75/18/583777518.db2.gz SMAMQHPMYBYAFH-UHFFFAOYSA-N 0 3 249.398 4.056 20 10 BICDHN CCC[N@H+](CC)Cc1cc(C(C)C)c(C)cc1[O-] ZINC000727820927 583777516 /nfs/dbraw/zinc/77/75/16/583777516.db2.gz SMAMQHPMYBYAFH-UHFFFAOYSA-N 0 3 249.398 4.056 20 10 BICDHN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756454893 585320083 /nfs/dbraw/zinc/32/00/83/585320083.db2.gz PJFFFNPNBANMBU-BPNCWPANSA-N 0 3 249.398 4.094 20 10 BICDHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756454895 585320036 /nfs/dbraw/zinc/32/00/36/585320036.db2.gz PJFFFNPNBANMBU-GDLCADMTSA-N 0 3 249.398 4.094 20 10 BICDHN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756454896 585320015 /nfs/dbraw/zinc/32/00/15/585320015.db2.gz PJFFFNPNBANMBU-LEWSCRJBSA-N 0 3 249.398 4.094 20 10 BICDHN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756454898 585320058 /nfs/dbraw/zinc/32/00/58/585320058.db2.gz PJFFFNPNBANMBU-ZLKJLUDKSA-N 0 3 249.398 4.094 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C)c([O-])c1C ZINC000756466370 585319936 /nfs/dbraw/zinc/31/99/36/585319936.db2.gz PWPFFXAHHDDHQN-CYBMUJFWSA-N 0 3 249.398 4.096 20 10 BICDHN Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C)c([O-])c1C ZINC000756466371 585320078 /nfs/dbraw/zinc/32/00/78/585320078.db2.gz PWPFFXAHHDDHQN-ZDUSSCGKSA-N 0 3 249.398 4.096 20 10 BICDHN CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756684448 585322287 /nfs/dbraw/zinc/32/22/87/585322287.db2.gz YDIIYRJQKODFMI-KBPBESRZSA-N 0 3 249.398 4.238 20 10 BICDHN CCC[C@H](CC)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756684451 585322407 /nfs/dbraw/zinc/32/24/07/585322407.db2.gz YDIIYRJQKODFMI-KGLIPLIRSA-N 0 3 249.398 4.238 20 10 BICDHN CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756684454 585322507 /nfs/dbraw/zinc/32/25/07/585322507.db2.gz YDIIYRJQKODFMI-UONOGXRCSA-N 0 3 249.398 4.238 20 10 BICDHN CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756684457 585322521 /nfs/dbraw/zinc/32/25/21/585322521.db2.gz YDIIYRJQKODFMI-ZIAGYGMSSA-N 0 3 249.398 4.238 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+]C(C(C)C)C(C)C)c([O-])c1 ZINC000756758446 585322915 /nfs/dbraw/zinc/32/29/15/585322915.db2.gz GXUSFABENXETJT-CYBMUJFWSA-N 0 3 249.398 4.032 20 10 BICDHN Cc1ccc([C@H](C)[NH2+]C(C(C)C)C(C)C)c([O-])c1 ZINC000756758447 585322976 /nfs/dbraw/zinc/32/29/76/585322976.db2.gz GXUSFABENXETJT-ZDUSSCGKSA-N 0 3 249.398 4.032 20 10 BICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C(C(C)C)C(C)C)c1 ZINC000756762356 585322778 /nfs/dbraw/zinc/32/27/78/585322778.db2.gz YQBHVNHFLAFCQF-CYBMUJFWSA-N 0 3 249.398 4.032 20 10 BICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C(C(C)C)C(C)C)c1 ZINC000756762358 585323035 /nfs/dbraw/zinc/32/30/35/585323035.db2.gz YQBHVNHFLAFCQF-ZDUSSCGKSA-N 0 3 249.398 4.032 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c([O-])c1C ZINC000756770909 585322945 /nfs/dbraw/zinc/32/29/45/585322945.db2.gz YLQQUWDJIMCJOE-GXTWGEPZSA-N 0 3 249.398 4.094 20 10 BICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)c([O-])c1C ZINC000756770910 585322966 /nfs/dbraw/zinc/32/29/66/585322966.db2.gz YLQQUWDJIMCJOE-JSGCOSHPSA-N 0 3 249.398 4.094 20 10 BICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)C)c([O-])c1C ZINC000756770911 585322898 /nfs/dbraw/zinc/32/28/98/585322898.db2.gz YLQQUWDJIMCJOE-OCCSQVGLSA-N 0 3 249.398 4.094 20 10 BICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)c([O-])c1C ZINC000756770912 585322904 /nfs/dbraw/zinc/32/29/04/585322904.db2.gz YLQQUWDJIMCJOE-TZMCWYRMSA-N 0 3 249.398 4.094 20 10 BICDHN CCC(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000760020870 585384336 /nfs/dbraw/zinc/38/43/36/585384336.db2.gz YZWJMSNLNARNMC-CYBMUJFWSA-N 0 3 249.398 4.096 20 10 BICDHN CCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000760020877 585384361 /nfs/dbraw/zinc/38/43/61/585384361.db2.gz YZWJMSNLNARNMC-ZDUSSCGKSA-N 0 3 249.398 4.096 20 10 BICDHN CC[C@H]([NH2+]C(C(C)C)C(C)C)c1ccccc1[O-] ZINC000775522718 585679057 /nfs/dbraw/zinc/67/90/57/585679057.db2.gz YSWPJSBXJFNOEX-AWEZNQCLSA-N 0 3 249.398 4.114 20 10 BICDHN CC[C@@H]([NH2+]C(C(C)C)C(C)C)c1ccccc1[O-] ZINC000775522719 585679052 /nfs/dbraw/zinc/67/90/52/585679052.db2.gz YSWPJSBXJFNOEX-CQSZACIVSA-N 0 3 249.398 4.114 20 10 BICDHN CC(C)=CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000788774472 585930116 /nfs/dbraw/zinc/93/01/16/585930116.db2.gz FFEZRFKNUUUJIE-AWEZNQCLSA-N 0 3 247.382 4.016 20 10 BICDHN CC(C)=CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000788774482 585930053 /nfs/dbraw/zinc/93/00/53/585930053.db2.gz FFEZRFKNUUUJIE-CQSZACIVSA-N 0 3 247.382 4.016 20 10 BICDHN CCC(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000788782486 585930364 /nfs/dbraw/zinc/93/03/64/585930364.db2.gz JTAHLROKSJNCTN-CYBMUJFWSA-N 0 3 249.398 4.096 20 10 BICDHN CCC(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000788782488 585930254 /nfs/dbraw/zinc/93/02/54/585930254.db2.gz JTAHLROKSJNCTN-ZDUSSCGKSA-N 0 3 249.398 4.096 20 10 BICDHN CC(C)=CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000790683647 585967746 /nfs/dbraw/zinc/96/77/46/585967746.db2.gz QXUTUXJQAQVCPU-AWEZNQCLSA-N 0 3 247.382 4.016 20 10 BICDHN CC(C)=CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000790683652 585967647 /nfs/dbraw/zinc/96/76/47/585967647.db2.gz QXUTUXJQAQVCPU-CQSZACIVSA-N 0 3 247.382 4.016 20 10 BICDHN CC[C@H]([NH2+]C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794796020 586048989 /nfs/dbraw/zinc/04/89/89/586048989.db2.gz RDJWUVDFISWFTF-HNNXBMFYSA-N 0 3 247.382 4.074 20 10 BICDHN CC[C@@H]([NH2+]C1CCCCC1)c1ccc(C)cc1[O-] ZINC000794796029 586049174 /nfs/dbraw/zinc/04/91/74/586049174.db2.gz RDJWUVDFISWFTF-OAHLLOKOSA-N 0 3 247.382 4.074 20 10 BICDHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803759 586049524 /nfs/dbraw/zinc/04/95/24/586049524.db2.gz RRTKGDORWCKUQF-GUTXKFCHSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803761 586049422 /nfs/dbraw/zinc/04/94/22/586049422.db2.gz RRTKGDORWCKUQF-IPYPFGDCSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803762 586049336 /nfs/dbraw/zinc/04/93/36/586049336.db2.gz RRTKGDORWCKUQF-NFAWXSAZSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794803764 586049306 /nfs/dbraw/zinc/04/93/06/586049306.db2.gz RRTKGDORWCKUQF-YDHLFZDLSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccc(C)cc1[O-] ZINC000794815332 586049333 /nfs/dbraw/zinc/04/93/33/586049333.db2.gz KBOLUUXBZVMUAF-DZGCQCFKSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H]([NH2+][C@H](C)CC(C)C)c1ccc(C)cc1[O-] ZINC000794815335 586049283 /nfs/dbraw/zinc/04/92/83/586049283.db2.gz KBOLUUXBZVMUAF-HIFRSBDPSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@@H]([NH2+][C@H](C)CC(C)C)c1ccc(C)cc1[O-] ZINC000794815337 586049278 /nfs/dbraw/zinc/04/92/78/586049278.db2.gz KBOLUUXBZVMUAF-UKRRQHHQSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccc(C)cc1[O-] ZINC000794815340 586049493 /nfs/dbraw/zinc/04/94/93/586049493.db2.gz KBOLUUXBZVMUAF-ZFWWWQNUSA-N 0 3 249.398 4.176 20 10 BICDHN CC[C@H]([NH2+]CCC=C(C)C)c1ccc(C)cc1[O-] ZINC000794818965 586049338 /nfs/dbraw/zinc/04/93/38/586049338.db2.gz ZUUADWACFFMZBW-HNNXBMFYSA-N 0 3 247.382 4.098 20 10 BICDHN CC[C@@H]([NH2+]CCC=C(C)C)c1ccc(C)cc1[O-] ZINC000794818966 586049321 /nfs/dbraw/zinc/04/93/21/586049321.db2.gz ZUUADWACFFMZBW-OAHLLOKOSA-N 0 3 247.382 4.098 20 10 BICDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(C)(C)C)c([O-])c1 ZINC000815566472 586687516 /nfs/dbraw/zinc/68/75/16/586687516.db2.gz VHJKFVYDOIIMGB-CYBMUJFWSA-N 0 3 249.398 4.096 20 10 BICDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(C)(C)C)c([O-])c1 ZINC000815566473 586687531 /nfs/dbraw/zinc/68/75/31/586687531.db2.gz VHJKFVYDOIIMGB-ZDUSSCGKSA-N 0 3 249.398 4.096 20 10 BICDHN CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000815632583 586689736 /nfs/dbraw/zinc/68/97/36/586689736.db2.gz RKZHNJFXNJWHIK-IHRRRGAJSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000815632584 586689891 /nfs/dbraw/zinc/68/98/91/586689891.db2.gz RKZHNJFXNJWHIK-MGPQQGTHSA-N 0 3 247.382 4.012 20 10 BICDHN CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834876974 587768989 /nfs/dbraw/zinc/76/89/89/587768989.db2.gz BRSPTAATNNOHCS-KBPBESRZSA-N 0 3 247.382 4.178 20 10 BICDHN CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834876980 587769094 /nfs/dbraw/zinc/76/90/94/587769094.db2.gz BRSPTAATNNOHCS-KGLIPLIRSA-N 0 3 247.382 4.178 20 10 BICDHN CC(C)=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000834876982 587769169 /nfs/dbraw/zinc/76/91/69/587769169.db2.gz BRSPTAATNNOHCS-UONOGXRCSA-N 0 3 247.382 4.178 20 10 BICDHN CC(C)=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000834876983 587769080 /nfs/dbraw/zinc/76/90/80/587769080.db2.gz BRSPTAATNNOHCS-ZIAGYGMSSA-N 0 3 247.382 4.178 20 10 BICDHN CC[C@H]([NH2+]C1(CC(C)C)CC1)c1ccccc1[O-] ZINC000850566429 588560727 /nfs/dbraw/zinc/56/07/27/588560727.db2.gz MOLDKYRBWVKUKY-AWEZNQCLSA-N 0 3 247.382 4.012 20 10 BICDHN CC[C@@H]([NH2+]C1(CC(C)C)CC1)c1ccccc1[O-] ZINC000850566430 588560907 /nfs/dbraw/zinc/56/09/07/588560907.db2.gz MOLDKYRBWVKUKY-CQSZACIVSA-N 0 3 247.382 4.012 20 10 BICDHN