[
  {
    "molid": "mol24628",
    "smiles": "CCC(CC)N1CCc2ccccc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(CC)N1CCc2ccccc2C1",
        "std_free_energy": -3.201368570327759,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC(CC)[NH+]1CCc2ccccc2C1",
        "std_free_energy": -8.406824111938477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]