pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	IUPAC digitized pKa	0	-1	[NH3+][C@@H](CCC(=O)[O-])c1ccccc1	N[C@@H](CCC(=O)[O-])c1ccccc1	mol11389	NC(CCC(=O)O)c1ccccc1
4.18	IUPAC digitized pKa	1	0	[NH3+][C@@H](CCC(=O)O)c1ccccc1	[NH3+][C@@H](CCC(=O)[O-])c1ccccc1	mol11389	NC(CCC(=O)O)c1ccccc1