pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22000026702881	QSARToolbox	1	0	C[NH+]1CCc2ccccc2C1	CN1CCc2ccccc2C1	mol24537	CN1CCc2ccccc2C1
8.385	AttenGpKa training set	1	0	C[NH+]1CCc2ccccc2C1	CN1CCc2ccccc2C1	mol24537	CN1CCc2ccccc2C1