pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	0	-1	CC[C@@]1(C(=O)O)C[C@]1(CC)C(=O)O	CC[C@]1(C(=O)[O-])C[C@@]1(CC)C(=O)O	mol10918	CC[C@@]1(C(=O)O)C[C@]1(CC)C(=O)O
6.58	IUPAC digitized pKa	-1	-2	CC[C@]1(C(=O)[O-])C[C@@]1(CC)C(=O)O	CC[C@@]1(C(=O)[O-])C[C@]1(CC)C(=O)[O-]	mol10918	CC[C@@]1(C(=O)O)C[C@]1(CC)C(=O)O
4.16	AttenGpKa training set	-1	-2	CC[C@]1(C(=O)[O-])C[C@@]1(CC)C(=O)O	CC[C@@]1(C(=O)[O-])C[C@]1(CC)C(=O)[O-]	mol10918	CC[C@@]1(C(=O)O)C[C@]1(CC)C(=O)O