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)/C=C(/C(=O)OC)[C@H]1c2c(O)c([O-])c(O)cc2C(=O)O[C@@H]1C(=O)OC ZINC000085541304 291094694 /nfs/dbraw/zinc/09/46/94/291094694.db2.gz OEUIKZZDJWSHAW-JMZAUNQWSA-N -1 3 396.304 -0.129 1 10 biogenic,in-vitro GBCFHM