pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71	IUPAC digitized pKa	1	0	COCC[NH+](CCCl)CCCl	COCCN(CCCl)CCCl	mol3113	COCCN(CCCl)CCCl
5.45	IUPAC digitized pKa	1	0	COCC[NH+](CCCl)CCCl	COCCN(CCCl)CCCl	mol3113	COCCN(CCCl)CCCl
5.58	OCHEM	1	0	COCC[NH+](CCCl)CCCl	COCCN(CCCl)CCCl	mol3113	COCCN(CCCl)CCCl