pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	OCHEM	1	0	C[NH+](C)CC(F)(F)F	CN(C)CC(F)(F)F	mol220	CN(C)CC(F)(F)F
4.75	AttenGpKa training set	1	0	C[NH+](C)CC(F)(F)F	CN(C)CC(F)(F)F	mol220	CN(C)CC(F)(F)F