[
  {
    "molid": "mol37845",
    "smiles": "C(=C/c1ccccc1)\\CN1CCc2ccccc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(=C/c1ccccc1)\\CN1CCc2ccccc2C1",
        "std_free_energy": -4.239033222198486,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(=C/c1ccccc1)\\C[NH+]1CCc2ccccc2C1",
        "std_free_energy": -7.504887580871582,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]