[
  {
    "molid": "mol15484",
    "smiles": "CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc(O)cc1",
        "std_free_energy": -6.387287139892578,
        "relative_population": 0.9998198965002045
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=CC(=O)C(C(C)C)=CC1=Nc1ccc([O-])cc1",
        "std_free_energy": -0.9470475912094116,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.8000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]