pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	OCHEM	0	-1	[NH3+]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	NC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	mol17079	NCC(CC(=O)O)c1ccc(Cl)cc1
3.7	OCHEM	1	0	[NH3+]C[C@@H](CC(=O)O)c1ccc(Cl)cc1	[NH3+]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	mol17079	NCC(CC(=O)O)c1ccc(Cl)cc1