pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	AttenGpKa training set	-1	-2	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	mol22548	CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O
5.24	AttenGpKa training set	-1	-2	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)O	CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	mol22548	CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O