pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	AttenGpKa training set	-1	-2	C[C@H]1[C@H](C(=O)O)[C@@]1(C)C(=O)[O-],C[C@H]1[C@H](C(=O)[O-])[C@@]1(C)C(=O)O	C[C@H]1[C@H](C(=O)[O-])[C@@]1(C)C(=O)[O-]	mol22552	C[C@H]1[C@H](C(=O)O)[C@@]1(C)C(=O)O
5.51	AttenGpKa training set	-1	-2	C[C@H]1[C@H](C(=O)O)[C@@]1(C)C(=O)[O-],C[C@H]1[C@H](C(=O)[O-])[C@@]1(C)C(=O)O	C[C@H]1[C@H](C(=O)[O-])[C@@]1(C)C(=O)[O-]	mol22552	C[C@H]1[C@H](C(=O)O)[C@@]1(C)C(=O)O