[
  {
    "molid": "mol37138",
    "smiles": "O=P(O)(O)C(F)(F)c1cccc(C(F)(F)P(=O)(O)O)n1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(F)(F)c1cccc(C(F)(F)P(=O)([O-])O)n1",
        "std_free_energy": -15.083478927612305,
        "relative_population": 0.9909624328335019
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(F)(F)c1cccc(C(F)(F)P(=O)(O)O)n1",
        "std_free_energy": -12.412676811218262,
        "relative_population": 0.09826690654555513
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(F)(F)c1cccc(C(F)(F)P(=O)([O-])O)n1",
        "std_free_energy": -14.627659797668457,
        "relative_population": 0.9002480164513011
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.17999982833862,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]