pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	-1	-2	O[C@@H](C[S-])[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)C[S-]	mol18008	O[C@@H](CS)[C@@H](O)CS