pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.09	IUPAC digitized pKa	0	-1	NNC(=O)c1ccc(Cl)cc1	N[N-]C(=O)c1ccc(Cl)cc1	mol10326	NNC(=O)c1ccc(Cl)cc1
12.12	AttenGpKa training set	0	-1	NNC(=O)c1ccc(Cl)cc1	N[N-]C(=O)c1ccc(Cl)cc1	mol10326	NNC(=O)c1ccc(Cl)cc1
3.02	IUPAC digitized pKa	1	0	[NH3+]NC(=O)c1ccc(Cl)cc1	NNC(=O)c1ccc(Cl)cc1	mol10326	NNC(=O)c1ccc(Cl)cc1
3.0	AttenGpKa training set	1	0	[NH3+]NC(=O)c1ccc(Cl)cc1	NNC(=O)c1ccc(Cl)cc1	mol10326	NNC(=O)c1ccc(Cl)cc1