pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.32	IUPAC digitized pKa	1	0	COC(=O)c1cc([NH3+])nc(N)n1,COC(=O)c1cc(N)[nH+]c(N)n1,COC(=O)c1cc(N)nc([NH3+])n1,COC(=O)c1cc(N)nc(N)[nH+]1	COC(=O)c1cc(N)nc(N)n1	mol7302	COC(=O)c1cc(N)nc(N)n1
5.32000017166138	QSARToolbox	1	0	COC(=O)c1cc([NH3+])nc(N)n1,COC(=O)c1cc(N)[nH+]c(N)n1,COC(=O)c1cc(N)nc([NH3+])n1,COC(=O)c1cc(N)nc(N)[nH+]1	COC(=O)c1cc(N)nc(N)n1	mol7302	COC(=O)c1cc(N)nc(N)n1