pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	AttenGpKa training set	0	-1	COc1cc(O)cc(C)c1O	COc1cc(O)cc(C)c1[O-],COc1cc([O-])cc(C)c1O	mol30538	COc1cc(O)cc(C)c1O
