pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	OCHEM	0	-1	CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1	CC(C)Cc1ccc([C@@H](C)C(=O)[N-]S(C)(=O)=O)cc1	mol536	CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1