pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5100002288818	QSARToolbox	1	0	C=CC12CC[NH+](CC1)CC2	C=CC12CCN(CC1)CC2	mol24518	C=CC12CCN(CC1)CC2
10.56	AttenGpKa training set	1	0	C=CC12CC[NH+](CC1)CC2	C=CC12CCN(CC1)CC2	mol24518	C=CC12CCN(CC1)CC2