pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.53	Datawarrior	1	0	CC[C@H]([NH3+])CCCl	CC[C@H](N)CCCl	mol15967	CCC(N)CCCl
8.5299997	OCHEM	1	0	CC[C@H]([NH3+])CCCl	CC[C@H](N)CCCl	mol15967	CCC(N)CCCl
8.52999973297119	QSARToolbox	1	0	CC[C@H]([NH3+])CCCl	CC[C@H](N)CCCl	mol15967	CCC(N)CCCl