smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCCC(=O)C(=O)COP(=O)([O-])[O-] ZINC000003869224 571684225 /nfs/dbraw/zinc/68/42/25/571684225.db2.gz HKEAOVFNWRDVAJ-UHFFFAOYSA-N -2 0 242.189 -0.013 10 10 endogenous,in-man BBCERL