pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	Fc1c(F)c(F)c2[nH]cnc2c1F	Fc1c(F)c(F)c2[n-]cnc2c1F	mol26484	Fc1c(F)c(F)c2[nH]cnc2c1F
2.1	AttenGpKa training set	1	0	Fc1c(F)c(F)c2[nH+]c[nH]c2c1F	Fc1c(F)c(F)c2[nH]cnc2c1F	mol26484	Fc1c(F)c(F)c2[nH]cnc2c1F