pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	AttenGpKa training set	0	-1	OC(O)(c1cccc(Br)c1)C(F)(F)F	[O-]C(O)(c1cccc(Br)c1)C(F)(F)F	mol31275	OC(O)(c1cccc(Br)c1)C(F)(F)F