pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.51	AttenGpKa training set	2	1	Cc1[nH+]c2[nH+]c3ccccc3c(O)c2cc1Br	Cc1[nH+]c2nc3ccccc3c(O)c2cc1Br,Cc1nc2[nH+]c3ccccc3c(O)c2cc1Br	mol26737	Cc1nc2nc3ccccc3c(O)c2cc1Br