pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.38	AttenGpKa training set	0	-1	C[C@]1(C(=O)O)O[C@H]1C(=O)O	C[C@]1(C(=O)O)O[C@H]1C(=O)[O-],C[C@]1(C(=O)[O-])O[C@H]1C(=O)O	mol22536	C[C@]1(C(=O)O)O[C@H]1C(=O)O
4.14	AttenGpKa training set	-1	-2	C[C@]1(C(=O)O)O[C@H]1C(=O)[O-],C[C@]1(C(=O)[O-])O[C@H]1C(=O)O	C[C@]1(C(=O)[O-])O[C@H]1C(=O)[O-]	mol22536	C[C@]1(C(=O)O)O[C@H]1C(=O)O