[
  {
    "molid": "mol24660",
    "smiles": "CCCCCCN1CCN(c2ccccc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCN1CCN(c2ccccc2)CC1",
        "std_free_energy": -4.413993835449219,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCC[NH+]1CCN(c2ccccc2)CC1",
        "std_free_energy": -8.85523796081543,
        "relative_population": 0.9903591432273761
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.13000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]