pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	IUPAC digitized pKa	0	-1	Cc1nc2nc(N)nc(O)c2[nH]1	Cc1nc2nc(N)nc([O-])c2[nH]1,Cc1nc2nc(N)nc(O)c2[n-]1	mol8254	Cc1nc2nc(N)nc(O)c2[nH]1
4.03	IUPAC digitized pKa	1	0	Cc1nc2nc([NH3+])nc(O)c2[nH]1,Cc1nc2[nH+]c(N)nc(O)c2[nH]1,Cc1nc2nc(N)[nH+]c(O)c2[nH]1,Cc1[nH]c2c(O)nc(N)nc2[nH+]1	Cc1nc2nc(N)nc(O)c2[nH]1	mol8254	Cc1nc2nc(N)nc(O)c2[nH]1
13.0	IUPAC digitized pKa	-1	-2	Cc1nc2nc(N)nc([O-])c2[nH]1,Cc1nc2nc(N)nc(O)c2[n-]1	Cc1nc2nc(N)nc([O-])c2[n-]1	mol8254	Cc1nc2nc(N)nc(O)c2[nH]1