pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	IUPAC digitized pKa	0	-1	CCOC(=O)c1cnc(O)nc1N	CCOC(=O)c1cnc([O-])nc1N	mol7056	CCOC(=O)c1cnc(O)nc1N
3.28	IUPAC digitized pKa	1	0	CCOC(=O)c1cnc(O)[nH+]c1N,CCOC(=O)c1c[nH+]c(O)nc1N,CCOC(=O)c1cnc(O)nc1[NH3+]	CCOC(=O)c1cnc(O)nc1N	mol7056	CCOC(=O)c1cnc(O)nc1N