pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.81	IUPAC digitized pKa	0	-1	Cn1nc(N)c(C(=O)O)n1	Cn1nc(N)c(C(=O)[O-])n1	mol7644	Cn1nc(N)c(C(=O)O)n1
-0.28	IUPAC digitized pKa	1	0	Cn1nc(N)c(C(=O)O)[nH+]1,Cn1nc(C(=O)O)c(N)[nH+]1,Cn1nc([NH3+])c(C(=O)O)n1	Cn1nc(N)c(C(=O)O)n1	mol7644	Cn1nc(N)c(C(=O)O)n1