pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.07	IUPAC digitized pKa	1	0	CCOC(=O)c1cnc([NH3+])nc1N,CCOC(=O)c1c[nH+]c(N)nc1N,CCOC(=O)c1cnc(N)nc1[NH3+],CCOC(=O)c1cnc(N)[nH+]c1N	CCOC(=O)c1cnc(N)nc1N	mol7289	CCOC(=O)c1cnc(N)nc1N
5.69999980926514	QSARToolbox	1	0	CCOC(=O)c1cnc([NH3+])nc1N,CCOC(=O)c1c[nH+]c(N)nc1N,CCOC(=O)c1cnc(N)nc1[NH3+],CCOC(=O)c1cnc(N)[nH+]c1N	CCOC(=O)c1cnc(N)nc1N	mol7289	CCOC(=O)c1cnc(N)nc1N