pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.49	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CCCC[C@H]1Cl	N[C@@H]1CCCC[C@H]1Cl	mol3279	NC1CCCCC1Cl
9.48999977111816	QSARToolbox	1	0	[NH3+][C@@H]1CCCC[C@H]1Cl	N[C@@H]1CCCC[C@H]1Cl	mol3279	NC1CCCCC1Cl