pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	AttenGpKa training set	0	-1	[NH3+]C1(C(=O)[O-])CC1	NC1(C(=O)[O-])CC1	mol29298	NC1(C(=O)O)CC1
2.73	AttenGpKa training set	1	0	[NH3+]C1(C(=O)O)CC1	[NH3+]C1(C(=O)[O-])CC1	mol29298	NC1(C(=O)O)CC1