pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88	AttenGpKa training set	0	-1	CN(O)C(=O)CCN,CN([O-])C(=O)CC[NH3+]	CN([O-])C(=O)CCN	mol31392	CN(O)C(=O)CCN
8.12	AttenGpKa training set	1	0	CN(O)C(=O)CC[NH3+]	CN(O)C(=O)CCN,CN([O-])C(=O)CC[NH3+]	mol31392	CN(O)C(=O)CCN