pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2	AttenGpKa training set	0	-1	Fc1cc(F)c2[nH]cnc2c1	Fc1cc(F)c2[n-]cnc2c1	mol26395	Fc1cc(F)c2[nH]cnc2c1
3.7	AttenGpKa training set	1	0	Fc1cc(F)c2[nH]c[nH+]c2c1	Fc1cc(F)c2[nH]cnc2c1	mol26395	Fc1cc(F)c2[nH]cnc2c1