smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)OC(=O)OC 95618302 1331681384 /nfs/dbraw/zinc/68/13/84/1331681384.db2.gz GZDFHIJNHHMENY-UHFFFAOYSA-N 0 0 134.087 0.536 50 50 endogenous,in-man ACGARN