smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000096023834 559147364 /nfs/dbraw/zinc/14/73/64/559147364.db2.gz RDBPZZVIYGFJKU-NNTGZONMSA-N -2 2 416.382 1.078 10 0 biogenic HDAELL