pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	AttenGpKa training set	1	0	COc1cc(Br)c(OC)c2[nH+]c(C)[nH]c12	COc1c(Br)cc(OC)c2[nH]c(C)nc12	mol26538	COc1c(Br)cc(OC)c2[nH]c(C)nc12