pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.51	IUPAC digitized pKa	1	0	COc1cnc2[nH+]c(N)nc(N)c2n1,COc1cnc2nc(N)nc(N)c2[nH+]1,COc1cnc2nc([NH3+])nc(N)c2n1,COc1cnc2nc(N)[nH+]c(N)c2n1,COc1cnc2nc(N)nc([NH3+])c2n1,COc1c[nH+]c2nc(N)nc(N)c2n1	COc1cnc2nc(N)nc(N)c2n1	mol8131	COc1cnc2nc(N)nc(N)c2n1