pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.75	IUPAC digitized pKa	0	-1	CNc1nc(O)c2nc(C)c(O)nc2n1	CNc1nc(O)c2nc(C)c([O-])nc2n1,CNc1nc([O-])c2nc(C)c(O)nc2n1	mol8161	CNc1nc(O)c2nc(C)c(O)nc2n1
2.15	IUPAC digitized pKa	1	0	CNc1nc2nc(O)c(C)nc2c(O)[nH+]1,C[NH2+]c1nc(O)c2nc(C)c(O)nc2n1,CNc1nc(O)c2nc(C)c(O)nc2[nH+]1	CNc1nc(O)c2nc(C)c(O)nc2n1	mol8161	CNc1nc(O)c2nc(C)c(O)nc2n1
9.94	IUPAC digitized pKa	-1	-2	CNc1nc(O)c2nc(C)c([O-])nc2n1,CNc1nc([O-])c2nc(C)c(O)nc2n1	CNc1nc([O-])c2nc(C)c([O-])nc2n1	mol8161	CNc1nc(O)c2nc(C)c(O)nc2n1