pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.005	AttenGpKa training set	0	-1	COCCO[P@@](C)(=O)O	COCCO[P@@](C)(=O)[O-]	mol28903	COCCOP(C)(=O)O