[
  {
    "molid": "mol14440",
    "smiles": "Cc1cc(C(O)=C(C#N)C#N)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C(O)=C(C#N)C#N)cc(C)c1O",
        "std_free_energy": -0.7126363515853882,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C([O-])=C(C#N)C#N)cc(C)c1O",
        "std_free_energy": -10.00456428527832,
        "relative_population": 0.9834604563876025
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]