pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	AttenGpKa training set	1	0	CN[NH2+]Cc1ccc(C(=O)NC(C)C)cc1,C[NH2+]NCc1ccc(C(=O)NC(C)C)cc1	CNNCc1ccc(C(=O)NC(C)C)cc1	mol29606	CNNCc1ccc(C(=O)NC(C)C)cc1