pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)[nH+]c2c1	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)nc2c1	mol21854	Clc1ccc2[nH]c(Cc3ccc(Br)cc3)nc2c1