[
  {
    "molid": "mol35770",
    "smiles": "O=C1N/C(=C\\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N/C(=C\\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
        "std_free_energy": -5.95985221862793,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]/C(=C\\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1",
        "std_free_energy": -1.1055753231048584,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3800001144409,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]