pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.04	AttenGpKa training set	0	-1	C[C@@](O)(S)CS	C[C@@](O)(S)C[S-],C[C@@](O)([S-])CS	mol28185	CC(O)(S)CS