pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	IUPAC digitized pKa	0	-1	CC[C@@](CC(=O)O)(C(=O)O)c1ccccc1	CC[C@@](CC(=O)O)(C(=O)[O-])c1ccccc1,CC[C@@](CC(=O)[O-])(C(=O)O)c1ccccc1	mol11666	CCC(CC(=O)O)(C(=O)O)c1ccccc1
6.52	IUPAC digitized pKa	-1	-2	CC[C@@](CC(=O)O)(C(=O)[O-])c1ccccc1,CC[C@@](CC(=O)[O-])(C(=O)O)c1ccccc1	CC[C@@](CC(=O)[O-])(C(=O)[O-])c1ccccc1	mol11666	CCC(CC(=O)O)(C(=O)O)c1ccccc1