[
  {
    "molid": "mol37150",
    "smiles": "O=P(O)(O)CC(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-6_5",
        "charge": -6,
        "smiles": "O=P([O-])([O-])CC(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -13.482965469360352,
        "relative_population": 0.9999913845200207
      },
      {
        "id": "-5_6",
        "charge": -5,
        "smiles": "O=P([O-])(O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.069602012634277,
        "relative_population": 0.5062075948263134
      },
      {
        "id": "-5_12",
        "charge": -5,
        "smiles": "O=P([O-])([O-])CC(P(=O)([O-])[O-])P(=O)([O-])O",
        "std_free_energy": -14.044744491577148,
        "relative_population": 0.4937796329665552
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1300001144409,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      }
    ]
  }
]