smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006510609 571308298 /nfs/dbraw/zinc/30/82/98/571308298.db2.gz YWZLZBKCXMSEEQ-UHFFFAOYSA-N 0 2 404.256 4.312 10 5 HIBELN