[
  {
    "molid": "mol21580",
    "smiles": "CCCN1CCN(c2ccc(O)cc2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[NH+]1CCN(c2ccc([O-])cc2)CC1",
        "std_free_energy": -2.408830165863037,
        "relative_population": 0.11216083788954657
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCCN1CCN(c2ccc(O)cc2)CC1",
        "std_free_energy": -4.476108551025391,
        "relative_population": 0.8864389695820251
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+]1CCN(c2ccc(O)cc2)CC1",
        "std_free_energy": -9.060481071472168,
        "relative_population": 0.9839949206438082
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]