smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(CCC(=O)[O-])(c1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 ZINC000001640026 569287863 /nfs/dbraw/zinc/28/78/63/569287863.db2.gz RXARJPRVMJJOJO-UHFFFAOYSA-N -2 2 424.107 5.882 50 0 HKAALL