pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53	IUPAC digitized pKa	1	0	CCOC(=O)c1nc(N(C)C)nc2c1[NH+]=C(O)CN2,CCOC(=O)c1[nH+]c(N(C)C)nc2c1N=C(O)CN2,CCOC(=O)c1nc([NH+](C)C)nc2c1N=C(O)CN2,CCOC(=O)c1nc(N(C)C)nc2c1N=C(O)C[NH2+]2,CCOC(=O)c1nc(N(C)C)[nH+]c2c1N=C(O)CN2	CCOC(=O)c1nc(N(C)C)nc2c1N=C(O)CN2	mol4802	CCOC(=O)c1nc(N(C)C)nc2c1N=C(O)CN2