pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C[C@H](O)C2	[NH-]S(=O)(=O)c1cc2c(s1)S(=O)(=O)C[C@H](O)C2	mol16508	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CC(O)C2