[
  {
    "molid": "mol32752",
    "smiles": "CCOc1ccc2nccc(C(O)C3CC4CCN3CC4CC)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4CC)c2c1",
        "std_free_energy": -3.6351897716522217,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CC[NH+]3C[C@@H]4CC)c2c1",
        "std_free_energy": -8.725318908691406,
        "relative_population": 0.948154587463024
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]