pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	0	-1	CC[NH+](CC)CC(=O)c1ccc([O-])cc1,CCN(CC)CC(=O)c1ccc(O)cc1	CCN(CC)CC(=O)c1ccc([O-])cc1	mol30657	CCN(CC)CC(=O)c1ccc(O)cc1
7.2	AttenGpKa training set	1	0	CC[NH+](CC)CC(=O)c1ccc(O)cc1	CC[NH+](CC)CC(=O)c1ccc([O-])cc1,CCN(CC)CC(=O)c1ccc(O)cc1	mol30657	CCN(CC)CC(=O)c1ccc(O)cc1