pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82	IUPAC digitized pKa	1	0	CCOC(=O)c1nc[nH+]c(N)c1N,CCOC(=O)c1ncnc(N)c1[NH3+],CCOC(=O)c1[nH+]cnc(N)c1N,CCOC(=O)c1ncnc([NH3+])c1N	CCOC(=O)c1ncnc(N)c1N	mol7290	CCOC(=O)c1ncnc(N)c1N
4.82000017166138	QSARToolbox	1	0	CCOC(=O)c1nc[nH+]c(N)c1N,CCOC(=O)c1ncnc(N)c1[NH3+],CCOC(=O)c1[nH+]cnc(N)c1N,CCOC(=O)c1ncnc([NH3+])c1N	CCOC(=O)c1ncnc(N)c1N	mol7290	CCOC(=O)c1ncnc(N)c1N