[
  {
    "molid": "mol27003",
    "smiles": "O=C(c1ccccc1)C(c1ccccc1)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]",
        "std_free_energy": -3.193385124206543,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccccc1)[C-](c1ccccc1)[N+](=O)[O-]",
        "std_free_energy": -4.936295509338379,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]