smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1ccc(SS(=O)(=O)[O-])cc1 ZINC000002250761 717094610 /nfs/dbraw/zinc/09/46/10/717094610.db2.gz PFOVDGGKNCQSQZ-UHFFFAOYSA-O 0 0 248.349 1.778 50 50 BDGARN