pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	IUPAC digitized pKa	0	-1	CC1(C)[C@@H](C(=O)O)C[C@@H]1C(=O)O	CC1(C)[C@@H](C(=O)[O-])C[C@@H]1C(=O)O	mol10456	CC1(C)[C@@H](C(=O)O)C[C@@H]1C(=O)O
5.56	IUPAC digitized pKa	-1	-2	CC1(C)[C@@H](C(=O)[O-])C[C@@H]1C(=O)O	CC1(C)[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-]	mol10456	CC1(C)[C@@H](C(=O)O)C[C@@H]1C(=O)O