pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](CCO)CN2	[NH-]S(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](CCO)CN2	mol20361	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCO)CN2