pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77	AttenGpKa training set	0	-1	CC1[C@](C)(C(=O)O)[C@@]1(C)C(=O)O	CC1[C@](C)(C(=O)[O-])[C@@]1(C)C(=O)O	mol22561	CC1[C@](C)(C(=O)O)[C@@]1(C)C(=O)O
5.42	AttenGpKa training set	-1	-2	CC1[C@](C)(C(=O)[O-])[C@@]1(C)C(=O)O	CC1[C@](C)(C(=O)[O-])[C@@]1(C)C(=O)[O-]	mol22561	CC1[C@](C)(C(=O)O)[C@@]1(C)C(=O)O