pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.78999996185303	QSARToolbox	1	0	CCCC[NH+]1CCN(c2ncccn2)CC1,CCCCN1CC[NH+](c2ncccn2)CC1	CCCCN1CCN(c2ncccn2)CC1	mol24644	CCCCN1CCN(c2ncccn2)CC1
7.89	AttenGpKa training set	1	0	CCCC[NH+]1CCN(c2ncccn2)CC1,CCCCN1CC[NH+](c2ncccn2)CC1	CCCCN1CCN(c2ncccn2)CC1	mol24644	CCCCN1CCN(c2ncccn2)CC1