pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	AttenGpKa training set	1	0	Oc1ccc(-c2c[nH]c[nH+]2)c(O)c1	Oc1ccc(-c2c[nH]cn2)c(O)c1,[O-]c1ccc(-c2c[nH]c[nH+]2)c(O)c1,[O-]c1cc(O)ccc1-c1c[nH]c[nH+]1	mol25445	Oc1ccc(-c2c[nH]cn2)c(O)c1