pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	OCHEM	1	0	CC/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,CC/N=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1	mol32065	CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1
5.57	OCHEM	2	1	CC/[NH+]=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	CC/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,CC/N=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	mol32065	CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1