pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.28	IUPAC digitized pKa	1	0	[NH3+]CC(Cl)=C(Cl)Cl	NCC(Cl)=C(Cl)Cl	mol2168	NCC(Cl)=C(Cl)Cl
6.72	OCHEM	1	0	[NH3+]CC(Cl)=C(Cl)Cl	NCC(Cl)=C(Cl)Cl	mol2168	NCC(Cl)=C(Cl)Cl
6.71999979019165	QSARToolbox	1	0	[NH3+]CC(Cl)=C(Cl)Cl	NCC(Cl)=C(Cl)Cl	mol2168	NCC(Cl)=C(Cl)Cl