pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47999954223633	QSARToolbox	1	0	C#CC12CC[NH+](CC1)CC2	C#CC12CCN(CC1)CC2	mol24516	C#CC12CCN(CC1)CC2
9.48	AttenGpKa training set	1	0	C#CC12CC[NH+](CC1)CC2	C#CC12CCN(CC1)CC2	mol24516	C#CC12CCN(CC1)CC2