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](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@](C)(O)C4)C[C@@H](O)[C@@H]1O ZINC000004654732 560199153 /nfs/dbraw/zinc/19/91/53/560199153.db2.gz RWSPXLDDWKEOIW-VLIDSJQPSA-N 0 1 452.459 1.619 10 10 in-vitro JDCEMN