smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(=O)N[O-])cc1 ZINC000033884786 685583217 /nfs/dbraw/zinc/58/32/17/685583217.db2.gz MPDBSGNLCBXFBJ-UHFFFAOYSA-N -2 3 330.278 -1.739 10 30 EAEEHL