[
  {
    "molid": "mol34606",
    "smiles": "COc1ccc(C(=C(CC(=O)O)C(=O)O)c2ccc(OC)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(C(=C(CC(=O)O)C(=O)[O-])c2ccc(OC)cc2)cc1",
        "std_free_energy": -9.213924407958984,
        "relative_population": 0.5980664666831819
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(C(=C(CC(=O)[O-])C(=O)O)c2ccc(OC)cc2)cc1",
        "std_free_energy": -8.816509246826172,
        "relative_population": 0.401933533316818
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc(C(=C(CC(=O)[O-])C(=O)[O-])c2ccc(OC)cc2)cc1",
        "std_free_energy": -11.02621841430664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.55000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]