pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0	OCHEM	-1	-2	CC(C)(C)c1cc(-c2n[nH]c(N)n2)cc(C(C)(C)C)c1[O-],CC(C)(C)c1cc(-c2n[n-]c(N)n2)cc(C(C)(C)C)c1O	CC(C)(C)c1cc(-c2n[nH]c([NH-])n2)cc(C(C)(C)C)c1[O-],CC(C)(C)c1cc(-c2n[n-]c(N)n2)cc(C(C)(C)C)c1[O-],CC(C)(C)c1cc(-c2n[n-]c([NH-])n2)cc(C(C)(C)C)c1O	mol32121	CC(C)(C)c1cc(-c2n[nH]c(N)n2)cc(C(C)(C)C)c1O