pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	IUPAC digitized pKa	0	-1	CCCOc1cnc2nc(N)nc(O)c2n1	CCCOc1cnc2nc(N)nc([O-])c2n1	mol8092	CCCOc1cnc2nc(N)nc(O)c2n1
2.37	IUPAC digitized pKa	1	0	CCCOc1cnc2nc(N)nc(O)c2[nH+]1,CCCOc1c[nH+]c2nc(N)nc(O)c2n1,CCCOc1cnc2[nH+]c(N)nc(O)c2n1,CCCOc1cnc2nc(N)[nH+]c(O)c2n1,CCCOc1cnc2nc([NH3+])nc(O)c2n1	CCCOc1cnc2nc(N)nc(O)c2n1	mol8092	CCCOc1cnc2nc(N)nc(O)c2n1