pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	OCHEM	1	0	NS(=O)(=O)c1cc2cc(C[NH+]3CC[S+]([O-])CC3)sc2s1	NS(=O)(=O)c1cc2cc(CN3CC[S+]([O-])CC3)sc2s1	mol16633	NS(=O)(=O)c1cc2cc(CN3CC[S+]([O-])CC3)sc2s1