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-])c1cc(-c2cc(Cl)cc(Cl)c2O)nc2c3ccccc3ccc12 ZINC000004381635 204042490 /nfs/dbraw/zinc/04/24/90/204042490.db2.gz DCUQQGKTQODKGA-UHFFFAOYSA-N -1 2 384.218 5.766 50 5 GKBALM