pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.44000005722046	QSARToolbox	1	0	Cc1cccc(/C=N/[NH2+]c2cccc(C)n2)n1,Cc1cccc(/C=N/Nc2cccc(C)[nH+]2)n1,Cc1cccc(N/N=C/c2cccc(C)[nH+]2)n1,Cc1cccc(/C=[NH+]/Nc2cccc(C)n2)n1	Cc1cccc(/C=N/Nc2cccc(C)n2)n1	mol35805	Cc1cccc(/C=N/Nc2cccc(C)n2)n1
3.84999990463257	QSARToolbox	2	1	Cc1cccc([NH2+]/N=C/c2cccc(C)[nH+]2)n1,Cc1cccc(/C=N/[NH2+]c2cccc(C)[nH+]2)n1,Cc1cccc(/C=[NH+]/Nc2cccc(C)[nH+]2)n1,Cc1cccc(/C=[NH+]/[NH2+]c2cccc(C)n2)n1,Cc1cccc(/C=N/Nc2cccc(C)[nH+]2)[nH+]1,Cc1cccc(N/[NH+]=C/c2cccc(C)[nH+]2)n1	Cc1cccc(/C=N/[NH2+]c2cccc(C)n2)n1,Cc1cccc(/C=N/Nc2cccc(C)[nH+]2)n1,Cc1cccc(N/N=C/c2cccc(C)[nH+]2)n1,Cc1cccc(/C=[NH+]/Nc2cccc(C)n2)n1	mol35805	Cc1cccc(/C=N/Nc2cccc(C)n2)n1