pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	AttenGpKa training set	1	0	COc1ccc2[nH]c([C@H](C)O)[nH+]c2c1	COc1ccc2[nH]c([C@H](C)O)nc2c1	mol26487	COc1ccc2[nH]c(C(C)O)nc2c1