pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.82	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)[C@@H](O)CC[S@+]2[O-]	[NH-]S(=O)(=O)c1cc2c(s1)[C@@H](O)CC[S@+]2[O-]	mol16498	NS(=O)(=O)c1cc2c(s1)C(O)CC[S+]2[O-]