[
  {
    "molid": "mol25554",
    "smiles": "O=[N+]([O-])c1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1",
        "std_free_energy": -6.359237194061279,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(-c2n[n-]cc2[N+](=O)[O-])cc1",
        "std_free_energy": -1.007918357849121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]