smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020458017 526945008 /nfs/dbraw/zinc/94/50/08/526945008.db2.gz DVPOZLGNMSDJRM-SDQBBNPISA-N -2 0 427.696 5.024 10 10 IKCERL