[
  {
    "molid": "mol33857",
    "smiles": "C=C(CCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(CCC(=O)O)C(=O)O",
        "std_free_energy": -1.810084342956543,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(CCC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.396905899047852,
        "relative_population": 0.44263320332553263
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=C(CCC(=O)[O-])C(=O)O",
        "std_free_energy": -8.627388000488281,
        "relative_population": 0.5573667966744673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.03000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]