pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.80000019073486	QSARToolbox	2	1	[NH3+]CCC[NH+]1CCSCCSCCSCC1	NCCC[NH+]1CCSCCSCCSCC1,[NH3+]CCCN1CCSCCSCCSCC1	mol35257	NCCCN1CCSCCSCCSCC1