pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.81	IUPAC digitized pKa	0	-1	NC(=O)c1[nH]nnc1N	NC(=O)c1[n-]nnc1N	mol7641	NC(=O)c1[nH]nnc1N
7.7	AttenGpKa training set	0	-1	NC(=O)c1[nH]nnc1N	NC(=O)c1[n-]nnc1N	mol7641	NC(=O)c1[nH]nnc1N
-0.23	IUPAC digitized pKa	2	1	NC(=O)c1[nH]n[nH+]c1[NH3+],NC(=O)c1[nH][nH+][nH+]c1N	NC(=O)c1[nH][nH+]nc1N,NC(=O)c1[nH]n[nH+]c1N,NC(=O)c1[nH]nnc1[NH3+]	mol7641	NC(=O)c1[nH]nnc1N