[
  {
    "molid": "mol36207",
    "smiles": "O=C1N/C(=C\\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N/C(=C\\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
        "std_free_energy": -5.651491165161133,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]/C(=C\\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
        "std_free_energy": -1.2223623991012573,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5299997329712,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]