[
  {
    "molid": "mol34895",
    "smiles": "CC(=C(C(=O)O)C(C(=O)O)=C(c1ccccc1)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=C(C(=O)O)C(C(=O)[O-])=C(c1ccccc1)c1ccccc1)c1ccccc1",
        "std_free_energy": -9.877157211303711,
        "relative_population": 0.5824998567528133
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=C(C(=O)[O-])C(C(=O)O)=C(c1ccccc1)c1ccccc1)c1ccccc1",
        "std_free_energy": -9.544113159179688,
        "relative_population": 0.4175001432471866
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=C(C(=O)[O-])C(C(=O)[O-])=C(c1ccccc1)c1ccccc1)c1ccccc1",
        "std_free_energy": -11.010139465332031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]