pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.36	AttenGpKa training set	0	-1	O=C[C@@H]1C=Nc2ccccc21	O=C[c-]1cnc2ccccc21	mol26369	O=CC1C=Nc2ccccc21