[
  {
    "molid": "mol24661",
    "smiles": "CCCCN1CCN(c2ccccc2OC)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN1CCN(c2ccccc2OC)CC1",
        "std_free_energy": -3.6515326499938965,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH+]1CCN(c2ccccc2OC)CC1",
        "std_free_energy": -8.893129348754883,
        "relative_population": 0.9863406465283474
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.33,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]