pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.02	AttenGpKa training set	0	-1	Brc1ccc2[nH]cnc2c1	Brc1ccc2[n-]cnc2c1	mol7784	Brc1ccc2[nH]cnc2c1
4.66	AttenGpKa training set	1	0	Brc1ccc2[nH]c[nH+]c2c1	Brc1ccc2[nH]cnc2c1	mol7784	Brc1ccc2[nH]cnc2c1