smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(O)c([O-])c(Cl)c(Cl)c1Cl ZINC000002002256 359681009 /nfs/dbraw/zinc/68/10/09/359681009.db2.gz CJQALGPVJPPULG-UHFFFAOYSA-N -2 3 229.446 2.764 10 10 BFCEHL