[
  {
    "molid": "mol34817",
    "smiles": "CC(O)(P(=O)(O)c1ccccc1)P(=O)(O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(O)([P@@](=O)([O-])c1ccccc1)[P@@](=O)(O)c1ccccc1",
        "std_free_energy": -11.562846183776855,
        "relative_population": 0.999942068114803
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(O)([P@@](=O)([O-])c1ccccc1)[P@@](=O)([O-])c1ccccc1",
        "std_free_energy": -12.487648010253906,
        "relative_population": 0.9999995821632965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04999995231628,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]