[
  {
    "molid": "mol33168",
    "smiles": "CC1CCCC(N)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CCC[C@H](N)C1",
        "std_free_energy": -0.009769544005393982,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1CCC[C@H]([NH3+])C1",
        "std_free_energy": -9.475984573364258,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]