pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)SCC[C@@H]2O	[NH-]S(=O)(=O)c1cc2c(s1)SCC[C@@H]2O	mol16506	NS(=O)(=O)c1cc2c(s1)SCCC2O