pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	IUPAC digitized pKa	0	-1	[NH3+]CC[C@H](C(=O)[O-])c1ccccc1	NCC[C@H](C(=O)[O-])c1ccccc1	mol11387	NCCC(C(=O)O)c1ccccc1
3.75	IUPAC digitized pKa	1	0	[NH3+]CC[C@H](C(=O)O)c1ccccc1	[NH3+]CC[C@H](C(=O)[O-])c1ccccc1	mol11387	NCCC(C(=O)O)c1ccccc1