pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.99	Datawarrior	1	0	CC(C)N/C=N/c1ccc(-c2cn(C)c[nH+]2)cc1,CC(C)N/C=[NH+]/c1ccc(-c2cn(C)cn2)cc1	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1	mol14904	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1
8.9899998	OCHEM	1	0	CC(C)N/C=N/c1ccc(-c2cn(C)c[nH+]2)cc1,CC(C)N/C=[NH+]/c1ccc(-c2cn(C)cn2)cc1	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1	mol14904	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1
5.39	Datawarrior	2	1	CC(C)N/C=[NH+]/c1ccc(-c2cn(C)c[nH+]2)cc1	CC(C)N/C=N/c1ccc(-c2cn(C)c[nH+]2)cc1,CC(C)N/C=[NH+]/c1ccc(-c2cn(C)cn2)cc1	mol14904	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1
5.3899998664856	QSARToolbox	2	1	CC(C)N/C=[NH+]/c1ccc(-c2cn(C)c[nH+]2)cc1	CC(C)N/C=N/c1ccc(-c2cn(C)c[nH+]2)cc1,CC(C)N/C=[NH+]/c1ccc(-c2cn(C)cn2)cc1	mol14904	CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1