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@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC000004098881 685104601 /nfs/dbraw/zinc/10/46/01/685104601.db2.gz LDPLFHGGZNSKDS-FTBFGRRBSA-N -2 3 344.272 -1.340 10 10 endogenous,in-man EACEHL