pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.03	IUPAC digitized pKa	0	-1	CN(C)c1ccc(C(=O)NN)cc1	CN(C)c1ccc(C(=O)[N-]N)cc1	mol11076	CN(C)c1ccc(C(=O)NN)cc1
13.05	AttenGpKa training set	0	-1	CN(C)c1ccc(C(=O)NN)cc1	CN(C)c1ccc(C(=O)[N-]N)cc1	mol11076	CN(C)c1ccc(C(=O)NN)cc1
3.23	AttenGpKa training set	1	0	CN(C)c1ccc(C(=O)N[NH3+])cc1,C[NH+](C)c1ccc(C(=O)NN)cc1	CN(C)c1ccc(C(=O)NN)cc1	mol11076	CN(C)c1ccc(C(=O)NN)cc1
3.34	AttenGpKa training set	1	0	CN(C)c1ccc(C(=O)N[NH3+])cc1,C[NH+](C)c1ccc(C(=O)NN)cc1	CN(C)c1ccc(C(=O)NN)cc1	mol11076	CN(C)c1ccc(C(=O)NN)cc1
2.02	AttenGpKa training set	2	1	C[NH+](C)c1ccc(C(=O)N[NH3+])cc1	CN(C)c1ccc(C(=O)N[NH3+])cc1,C[NH+](C)c1ccc(C(=O)NN)cc1	mol11076	CN(C)c1ccc(C(=O)NN)cc1