pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.06	Baltruschat ChEMBL	0	-1	Oc1ccccc1SCc1ccccc1	[O-]c1ccccc1SCc1ccccc1	mol17287	Oc1ccccc1SCc1ccccc1