[
  {
    "molid": "mol35336",
    "smiles": "Cc1cc(C)c(CP(=O)(O)O)cc1CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "Cc1cc(C)c(CP(=O)([O-])O)cc1CP(=O)([O-])[O-]",
        "std_free_energy": -12.852509498596191,
        "relative_population": 0.9999998538945767
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1cc(C)c(CP(=O)([O-])O)cc1CP(=O)([O-])O",
        "std_free_energy": -12.801051139831543,
        "relative_population": 0.8117202098584919
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "Cc1cc(C)c(CP(=O)(O)O)cc1CP(=O)([O-])[O-]",
        "std_free_energy": -11.339822769165039,
        "relative_population": 0.18827945859125628
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23999977111816,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.78000020980835,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]