pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.08	AttenGpKa training set	0	-1	O=S(=O)(NO)c1ccc(Br)cc1	O=S(=O)([N-]O)c1ccc(Br)cc1,O=S(=O)(N[O-])c1ccc(Br)cc1	mol31462	O=S(=O)(NO)c1ccc(Br)cc1