pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	IUPAC digitized pKa	0	-1	Cc1nc2nc(N)nc(O)c2n1C	Cc1nc2nc(N)nc([O-])c2n1C	mol8250	Cc1nc2nc(N)nc(O)c2n1C
4.4	IUPAC digitized pKa	1	0	Cc1nc2[nH+]c(N)nc(O)c2n1C,Cc1nc2nc([NH3+])nc(O)c2n1C,Cc1[nH+]c2nc(N)nc(O)c2n1C,Cc1nc2nc(N)[nH+]c(O)c2n1C	Cc1nc2nc(N)nc(O)c2n1C	mol8250	Cc1nc2nc(N)nc(O)c2n1C