[
  {
    "molid": "mol29862",
    "smiles": "C[C@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc([O-])cc3[C@]1(C)CC[NH+]2CCc1ccccc1",
        "std_free_energy": -2.209641933441162,
        "relative_population": 0.412625377137416
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1",
        "std_free_energy": -2.5627646446228027,
        "relative_population": 0.587374622862584
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH+]2CCc1ccccc1",
        "std_free_energy": -9.77794361114502,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]