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@](C)(CC(C)C)OO	CC[C@](C)(CC(C)C)O[O-]	mol31363	CCC(C)(CC(C)C)OO