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([N-]S(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000003884797 555950921 /nfs/dbraw/zinc/95/09/21/555950921.db2.gz YMKWCYZZDNTRNS-UHFFFAOYSA-N -2 2 444.537 3.109 50 0 IGAALL