pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.30999994277954	QSARToolbox	2	1	CCOC(=O)C[n+]1cc(CO)c(/C=[NH+]/[NH2+]c2ccccn2)c([O-])c1C,CCOC(=[OH+])C[n+]1cc(CO)c(/C=N/Nc2ccccn2)c(O)c1C,CCOC(=O)C[n+]1cc(C[OH2+])c(/C=N/Nc2ccccn2)c(O)c1C,CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2cccc[nH+]2)c(O)c1C,CCOC(=O)C[n+]1cc(CO)c(/C=[NH+]/Nc2ccccn2)c(O)c1C,CCOC(=O)C[n+]1cc(CO)c(/C=N/[NH2+]c2ccccn2)c(O)c1C	CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2ccccn2)c(O)c1C,CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2cccc[nH+]2)c([O-])c1C	mol36842	CCOC(=O)C[n+]1cc(CO)c(/C=N/Nc2ccccn2)c(O)c1C