[
  {
    "molid": "mol30806",
    "smiles": "O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c21",
        "std_free_energy": -2.4620392322540283,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c([O-])c21",
        "std_free_energy": -5.367008686065674,
        "relative_population": 0.9981005540024007
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]