smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])c1 ZINC000004884204 559197591 /nfs/dbraw/zinc/19/75/91/559197591.db2.gz BIIXWKKPMJLEBK-UHFFFAOYSA-N -2 1 416.455 2.444 10 0 HEAEML C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000011679222 560211394 /nfs/dbraw/zinc/21/13/94/560211394.db2.gz FLSLEGPOVLMJMN-CWFSZBLJSA-N -2 1 410.470 2.089 10 0 in-vitro HEAEML