pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	AttenGpKa training set	1	0	COc1ccccc1[NH+]1CCN(CCC#N)CC1,COc1ccccc1N1CC[NH+](CCC#N)CC1	COc1ccccc1N1CCN(CCC#N)CC1	mol29652	COc1ccccc1N1CCN(CCC#N)CC1