smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1c(Cl)c(Cl)c(O)c2ccccc21)c1ccc(Cl)cc1 ZINC000003185001 568860296 /nfs/dbraw/zinc/86/02/96/568860296.db2.gz CCEZSXBRDIPRKY-UHFFFAOYSA-N -2 1 402.686 5.306 40 10 HKCBML