smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(O)c2c(c1)occ(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c2=O ZINC000217357027 569879919 /nfs/dbraw/zinc/87/99/19/569879919.db2.gz PHTZWFITMNFQCB-LDBVRRDLSA-N 0 1 460.435 0.743 40 70 JCIBMN