[
  {
    "molid": "mol35042",
    "smiles": "CC(C)(CC(Cl)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C[C@@H](Cl)[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.64541482925415,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C[C-](Cl)[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.769876956939697,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]