[
  {
    "molid": "mol10237",
    "smiles": "CC1CC(=NO)C(=NO)C(=NO)C1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC1CC(=N[O-])C(=N[O-])C(=N[O-])C1",
        "std_free_energy": 17.931245803833008,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1CC(=N[O-])C(=NO)C(=N[O-])C1",
        "std_free_energy": 5.852469444274902,
        "relative_population": 0.6843814545187091
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1CC(=N[O-])C(=N[O-])C(=NO)C1",
        "std_free_energy": 6.626450538635254,
        "relative_population": 0.3156185454812908
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1CC(=N[O-])C(=NO)C(=NO)C1",
        "std_free_energy": -4.296894550323486,
        "relative_population": 0.45127292043899486
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC1CC(=NO)C(=N[O-])C(=NO)C1",
        "std_free_energy": -4.492413520812988,
        "relative_population": 0.5487216345691903
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.16,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]