pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.04	OCHEM	0	-1	CC(C)(C)CO	CC(C)(C)C[O-]	mol2003	CC(C)(C)CO
15.5	AttenGpKa training set	0	-1	CC(C)(C)CO	CC(C)(C)C[O-]	mol2003	CC(C)(C)CO