pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	Datawarrior	1	0	CC(C)N(C)/C=[NH+]/c1ccc(-c2c[nH]cn2)cc1,CC(C)N(C)/C=N/c1ccc(-c2c[nH]c[nH+]2)cc1	CC(C)N(C)/C=N/c1ccc(-c2c[nH]cn2)cc1	mol14906	CC(C)N(C)/C=N/c1ccc(-c2c[nH]cn2)cc1
5.52	Datawarrior	2	1	CC(C)N(C)/C=[NH+]/c1ccc(-c2c[nH]c[nH+]2)cc1	CC(C)N(C)/C=[NH+]/c1ccc(-c2c[nH]cn2)cc1,CC(C)N(C)/C=N/c1ccc(-c2c[nH]c[nH+]2)cc1	mol14906	CC(C)N(C)/C=N/c1ccc(-c2c[nH]cn2)cc1
5.51999998092651	QSARToolbox	2	1	CC(C)N(C)/C=[NH+]/c1ccc(-c2c[nH]c[nH+]2)cc1	CC(C)N(C)/C=[NH+]/c1ccc(-c2c[nH]cn2)cc1,CC(C)N(C)/C=N/c1ccc(-c2c[nH]c[nH+]2)cc1	mol14906	CC(C)N(C)/C=N/c1ccc(-c2c[nH]cn2)cc1