pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.61999988555908	QSARToolbox	2	1	Cc1[nH+]cc(CO)c(/C=N/Nc2cccc[nH+]2)c1O,Cc1ncc(CO)c(/C=[NH+]/[NH2+]c2cccc[nH+]2)c1[O-],Cc1ncc(CO)c(/C=[NH+]/[NH2+]c2ccccn2)c1O,Cc1ncc(CO)c(/C=[NH+]/Nc2cccc[nH+]2)c1O,Cc1ncc(CO)c(/C=N/[NH2+]c2cccc[nH+]2)c1O,Cc1[nH+]cc(CO)c(/C=N/[NH2+]c2ccccn2)c1O,Cc1[nH+]cc(CO)c(/C=[NH+]/[NH2+]c2ccccn2)c1[O-]	Cc1ncc(CO)c(/C=N/Nc2cccc[nH+]2)c1O,Cc1[nH+]cc(CO)c(/C=N/Nc2ccccn2)c1O,Cc1ncc(CO)c(/C=N/[NH2+]c2ccccn2)c1O,Cc1ncc(CO)c(/C=[NH+]/Nc2ccccn2)c1O,Cc1ncc(C[OH2+])c(/C=N/Nc2ccccn2)c1O	mol36018	Cc1ncc(CO)c(/C=N/Nc2ccccn2)c1O