smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[N-]C(=O)CNC(=O)c1cc([O-])cs1 ZINC000832753411 587684314 /nfs/dbraw/zinc/68/43/14/587684314.db2.gz MNVLRERMZHHDEA-UHFFFAOYSA-N -2 3 230.245 -0.139 20 10 BBCDHL