[
  {
    "molid": "mol37508",
    "smiles": "O=S(=O)(O)c1cccc2cc(O)c(O)cc12",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cccc2cc([O-])c([O-])cc12",
        "std_free_energy": 6.763491630554199,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2cc([O-])c(O)cc12",
        "std_free_energy": -2.890082836151123,
        "relative_population": 0.4778346604957457
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2cc(O)c([O-])cc12",
        "std_free_energy": -2.978752613067627,
        "relative_population": 0.5221393733641974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]