[
  {
    "molid": "mol14227",
    "smiles": "C[n+]1ccccc1C(C)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccccc1C(C)([O-])O",
        "std_free_energy": 3.8105876445770264,
        "relative_population": 0.5499766973559116
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[CH2-][n+]1ccccc1C(C)(O)O",
        "std_free_energy": 4.01116418838501,
        "relative_population": 0.45002330264408846
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccccc1C(C)(O)O",
        "std_free_energy": -6.204183578491211,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.5699996948242,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]