pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	IUPAC digitized pKa	1	0	CSc1ccccc1[C@@H](O)C[NH2+]C(C)C	CSc1ccccc1[C@@H](O)CNC(C)C	mol6221	CSc1ccccc1C(O)CNC(C)C