[
  {
    "molid": "mol37668",
    "smiles": "CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O",
        "std_free_energy": -3.296130657196045,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1[O-]",
        "std_free_energy": -3.719970464706421,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.34100008010864,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]