smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)cc2c(=O)oc3c(OC)c(O[C@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000070455331 560047355 /nfs/dbraw/zinc/04/73/55/560047355.db2.gz KHTUHWMIAVJRJS-JTHWYAKESA-N -1 2 506.372 -0.516 1 5 biogenic,in-vitro KBBFLM