pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.28	IUPAC digitized pKa	1	0	CC(C)[NH+](CCCl)CCCl	CC(C)N(CCCl)CCCl	mol2041	CC(C)N(CCCl)CCCl
6.98	IUPAC digitized pKa	1	0	CC(C)[NH+](CCCl)CCCl	CC(C)N(CCCl)CCCl	mol2041	CC(C)N(CCCl)CCCl
7.0	Datawarrior	1	0	CC(C)[NH+](CCCl)CCCl	CC(C)N(CCCl)CCCl	mol2041	CC(C)N(CCCl)CCCl
6.95	OCHEM	1	0	CC(C)[NH+](CCCl)CCCl	CC(C)N(CCCl)CCCl	mol2041	CC(C)N(CCCl)CCCl