pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.83	AttenGpKa training set	1	0	Clc1cc(Br)cc2[nH+]cccc12	Clc1cc(Br)cc2ncccc12	mol26130	Clc1cc(Br)cc2ncccc12