[
  {
    "molid": "mol34709",
    "smiles": "CC(=O)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CP(=O)(O)O",
        "std_free_energy": -0.8996045589447021,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)CP(=O)([O-])O",
        "std_free_energy": -11.65035343170166,
        "relative_population": 0.99832820595467
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(=O)CP(=O)([O-])[O-]",
        "std_free_energy": -12.534632682800293,
        "relative_population": 0.9999941263250983
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]