[
  {
    "molid": "mol32057",
    "smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1I",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1I",
        "std_free_energy": -4.429383277893066,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1I",
        "std_free_energy": -4.649863243103027,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]