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(NS(=O)(=O)c2cccc3nsnc32)cc(C(=O)[O-])c1 ZINC000020057928 530569173 /nfs/dbraw/zinc/56/91/73/530569173.db2.gz DCLNRWHLLLGBTM-UHFFFAOYSA-N -2 2 379.375 1.889 50 10 GDCALL