pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.42	AttenGpKa training set	1	0	CC[NH+](CC)Cc1cccc([N+](=O)[O-])c1	CCN(CC)Cc1cccc([N+](=O)[O-])c1	mol24308	CCN(CC)Cc1cccc([N+](=O)[O-])c1