pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.07	AttenGpKa training set	0	-1	C[NH2+][C@H](CC(=O)[O-])C(N)=O	CN[C@H](CC(=O)[O-])C(N)=O	mol29318	CNC(CC(=O)O)C(N)=O
3.04	AttenGpKa training set	1	0	C[NH2+][C@H](CC(=O)O)C(N)=O	C[NH2+][C@H](CC(=O)[O-])C(N)=O	mol29318	CNC(CC(=O)O)C(N)=O