[
  {
    "molid": "mol9176",
    "smiles": "O=C(O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -2.1865968704223633,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -10.406675338745117,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.64000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]