pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	0	-1	CN(C)c1nc(N)nc2ncc(=O)[nH]c12	CN(C)c1nc(N)nc2ncc(=O)[n-]c12	mol8075	CN(C)c1nc(N)nc2ncc(=O)[nH]c12
4.9	IUPAC digitized pKa	1	0	CN(C)c1nc([NH3+])nc2ncc(=O)[nH]c12,CN(C)c1nc(N)[nH+]c2ncc(=O)[nH]c12,CN(C)c1nc(N)nc2[nH+]cc(=O)[nH]c12,C[NH+](C)c1nc(N)nc2ncc(=O)[nH]c12,CN(C)c1[nH+]c(N)nc2ncc(=O)[nH]c12	CN(C)c1nc(N)nc2ncc(=O)[nH]c12	mol8075	CN(C)c1nc(N)nc2ncc(=O)[nH]c12