pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.67	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1	mol20954	NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)s1