[
  {
    "molid": "mol25191",
    "smiles": "CN(C)c1c[n+](O)ccc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1c[n+]([O-])ccc1[N+](=O)[O-]",
        "std_free_energy": -7.749466896057129,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1c[n+](O)ccc1[N+](=O)[O-]",
        "std_free_energy": 8.828527450561523,
        "relative_population": 0.8844751857213199
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1c[n+]([O-])ccc1[N+](=O)[O-]",
        "std_free_energy": 10.864036560058594,
        "relative_population": 0.11552481427868008
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]