pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	AttenGpKa training set	0	-1	CC(C)(Cc1ccccc1)OO	CC(C)(Cc1ccccc1)O[O-]	mol31371	CC(C)(Cc1ccccc1)OO