pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	IUPAC digitized pKa	0	-1	[NH3+]C[C@@H](CC(=O)[O-])c1ccccc1	NC[C@@H](CC(=O)[O-])c1ccccc1	mol11388	NCC(CC(=O)O)c1ccccc1
4.07	IUPAC digitized pKa	1	0	[NH3+]C[C@@H](CC(=O)O)c1ccccc1	[NH3+]C[C@@H](CC(=O)[O-])c1ccccc1	mol11388	NCC(CC(=O)O)c1ccccc1