[
  {
    "molid": "mol408",
    "smiles": "CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1",
        "std_free_energy": -3.088282823562622,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC1CC[NH+](CCCC(=O)c2ccccc2C)CC1",
        "std_free_energy": -8.375201225280762,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]