[
  {
    "molid": "mol35110",
    "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(F)(F)F",
        "std_free_energy": -6.221035480499268,
        "relative_population": 0.9958412844765505
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH+]2CC(F)(F)F",
        "std_free_energy": -6.195981979370117,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.55999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]