[
  {
    "molid": "mol25455",
    "smiles": "Cc1[nH]nc(C(C)(C)C)c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]nc(C(C)(C)C)c1[N+](=O)[O-]",
        "std_free_energy": -7.147550582885742,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1[n-]nc(C(C)(C)C)c1[N+](=O)[O-]",
        "std_free_energy": 1.5172218084335327,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]