[
  {
    "molid": "mol36062",
    "smiles": "CC[N+](C)(CC)CC(=NO)C(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[N+](C)(CC)CC(=NO)C(C)=N[O-]",
        "std_free_energy": -4.528637886047363,
        "relative_population": 0.4270197142072407
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[N+](C)(CC)CC(=N[O-])C(C)=NO",
        "std_free_energy": -4.822659015655518,
        "relative_population": 0.5729802857927593
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[N+](C)(CC)CC(=N[O-])C(C)=N[O-]",
        "std_free_energy": 6.304869174957275,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3500003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]