pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47000026702881	QSARToolbox	2	1	[NH3+][C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1	[NH3+][C@@H]1CCCC[C@@H]1CCN1CCCCC1,N[C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1	mol37764	NC1CCCCC1CCN1CCCCC1
6.25	QSARToolbox	2	1	[NH3+][C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1	[NH3+][C@@H]1CCCC[C@@H]1CCN1CCCCC1,N[C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1	mol37764	NC1CCCCC1CCN1CCCCC1