pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.16	IUPAC digitized pKa	0	-1	CSc1ccc(S(=O)(=O)[O-])c2ccc[nH+]c12	CSc1ccc(S(=O)(=O)[O-])c2cccnc12	mol7773	CSc1ccc(S(=O)(=O)O)c2cccnc12