[
  {
    "molid": "mol37137",
    "smiles": "O=P(O)(O)C(F)(F)c1ccc(C(F)(F)P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(F)(F)c1ccc(C(F)(F)P(=O)([O-])O)cc1",
        "std_free_energy": -14.428159713745117,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(F)(F)c1ccc(C(F)(F)P(=O)([O-])O)cc1",
        "std_free_energy": -13.795053482055664,
        "relative_population": 0.6365839209809597
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(F)(F)c1ccc(C(F)(F)P(=O)(O)O)cc1",
        "std_free_energy": -13.234485626220703,
        "relative_population": 0.36341607901904016
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82000017166138,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]