[
  {
    "molid": "mol37106",
    "smiles": "O=C(NO)C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)C(=O)c1ccccc1",
        "std_free_energy": -5.3820013999938965,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]O)C(=O)c1ccccc1",
        "std_free_energy": -1.7938176393508911,
        "relative_population": 0.3669465292678223
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[O-])C(=O)c1ccccc1",
        "std_free_energy": -2.33915638923645,
        "relative_population": 0.6330534707321777
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.51999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]