pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	Datawarrior	1	0	[NH3+]CCCCl	NCCCCl	mol15919	NCCCCl
9.8900003	OCHEM	1	0	[NH3+]CCCCl	NCCCCl	mol15919	NCCCCl
9.89000034332275	QSARToolbox	1	0	[NH3+]CCCCl	NCCCCl	mol15919	NCCCCl