smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000021992916 569602416 /nfs/dbraw/zinc/60/24/16/569602416.db2.gz DJSISFGPUUYILV-ZFORQUDYSA-N -3 1 462.363 -0.152 50 10 biogenic,in-vitro JBCAML