pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.39	AttenGpKa training set	0	-1	COc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)c1O	COc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1O	mol29388	COc1cccc(C2NC(C(=O)O)CS2)c1O