pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.14000034332275	QSARToolbox	2	1	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=N[O-])c2)c1	mol36852	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1
8.84000015258789	QSARToolbox	2	1	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=N[O-])c2)c1	mol36852	COC(=O)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1