smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000002031075 567844108 /nfs/dbraw/zinc/84/41/08/567844108.db2.gz ZZMVLMVFYMGSMY-OAHLLOKOSA-N 1 2 268.404 5.277 50 10 CKCALO CC(C)C[C@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000002031077 567844025 /nfs/dbraw/zinc/84/40/25/567844025.db2.gz ZZMVLMVFYMGSMY-HNNXBMFYSA-N 1 2 268.404 5.277 50 10 CKCALO c1ccc(Nc2ccc([NH2+]C3CCCCC3)cc2)cc1 ZINC000002507992 570284691 /nfs/dbraw/zinc/28/46/91/570284691.db2.gz ZRMMVODKVLXCBB-UHFFFAOYSA-N 1 2 266.388 5.175 50 10 CKCALO CCCCCC[C@@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000002522828 570215207 /nfs/dbraw/zinc/21/52/07/570215207.db2.gz JQTYAZKTBXWQOM-QGZVFWFLSA-N 1 2 296.458 6.201 50 10 CKCALO CCCCCC[C@H](C)[NH2+]c1ccc(Nc2ccccc2)cc1 ZINC000005315404 170085247 /nfs/dbraw/zinc/08/52/47/170085247.db2.gz JQTYAZKTBXWQOM-KRWDZBQOSA-N 1 2 296.458 6.201 50 10 CKCALO