[
  {
    "molid": "mol37189",
    "smiles": "O=P(O)(O)c1cccc(C(F)(F)P(=O)(O)O)c1",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])c1cccc(C(F)(F)P(=O)([O-])[O-])c1",
        "std_free_energy": -14.472199440002441,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])(O)c1cccc(C(F)(F)P(=O)([O-])[O-])c1",
        "std_free_energy": -14.503887176513672,
        "relative_population": 0.5047841996141856
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])([O-])c1cccc(C(F)(F)P(=O)([O-])O)c1",
        "std_free_energy": -14.484749794006348,
        "relative_population": 0.4952158003858144
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cccc(C(F)(F)P(=O)(O)O)c1",
        "std_free_energy": -12.188211441040039,
        "relative_population": 0.10642520366274434
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)c1cccc(C(F)(F)P(=O)([O-])O)c1",
        "std_free_energy": -13.877359390258789,
        "relative_population": 0.5762781103301262
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P(O)(O)c1cccc(C(F)(F)P(=O)([O-])[O-])c1",
        "std_free_energy": -13.280606269836426,
        "relative_population": 0.3172966860071294
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.15999984741211,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]