pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	OCHEM	0	-1	O=C(C[n+]1ccc(/C=N/[O-])cc1)Nc1nc(-c2ccccc2)cs1,O=C(C[n+]1ccc(/C=N/O)cc1)[N-]c1nc(-c2ccccc2)cs1	O=C(C[n+]1ccc(/C=N/[O-])cc1)[N-]c1nc(-c2ccccc2)cs1	mol32199	O=C(C[n+]1ccc(/C=N/O)cc1)Nc1nc(-c2ccccc2)cs1