[
  {
    "molid": "mol37814",
    "smiles": "OCCC[C@@H]1CC[C@H]2CCCN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCC[C@@H]1CC[C@H]2CCCN12",
        "std_free_energy": 0.8902628421783447,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCCC[C@@H]1CC[C@H]2CCC[NH+]12",
        "std_free_energy": -10.428266525268555,
        "relative_population": 0.9999793524892528
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1700000762939,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]