smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)c(O)c2)C(=O)[O-])ccc1O ZINC000015219306 563017662 /nfs/dbraw/zinc/01/76/62/563017662.db2.gz LIJMMUDJSMCVDJ-ZHBFVYIWSA-N -2 0 448.380 0.880 10 10 ICCERL