pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05	IUPAC digitized pKa	1	0	COc1nc(C)c2ncn(C)c2[nH+]1,COc1nc(C)c2[nH+]cn(C)c2n1,COc1nc2c(ncn2C)c(C)[nH+]1	COc1nc(C)c2ncn(C)c2n1	mol8318	COc1nc(C)c2ncn(C)c2n1