[
  {
    "molid": "mol37518",
    "smiles": "O=S(=O)(O)c1cc(O)ccc1Nc1cc(Br)c(O)c(Br)c1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(O)ccc1Nc1cc(Br)c(O)c(Br)c1",
        "std_free_energy": -7.495174407958984,
        "relative_population": 0.9597998637914055
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)ccc1Nc1cc(Br)c([O-])c(Br)c1",
        "std_free_energy": -4.809213161468506,
        "relative_population": 0.8886626048194487
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc([O-])ccc1Nc1cc(Br)c(O)c(Br)c1",
        "std_free_energy": -2.731574058532715,
        "relative_population": 0.11128322614168817
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.11999988555908,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]