[
  {
    "molid": "mol34672",
    "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(=NO)C(=NO)C(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -7.278186321258545,
        "relative_population": 0.9999992827597635
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=N[O-])C(=NO)C(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -2.851043939590454,
        "relative_population": 0.38159239251562344
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=NO)C(=N[O-])C(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -3.314455270767212,
        "relative_population": 0.6065361523665427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]