[
  {
    "molid": "mol8929",
    "smiles": "O=P(O)(O)C(Cl)(Cl)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])C(Cl)(Cl)P(=O)([O-])[O-]",
        "std_free_energy": -15.322999954223633,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(Cl)(Cl)P(=O)([O-])O",
        "std_free_energy": -15.558364868164062,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O",
        "std_free_energy": -14.323774337768555,
        "relative_population": 0.8337722268093851
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(Cl)(Cl)P(=O)(O)O",
        "std_free_energy": -12.711173057556152,
        "relative_population": 0.16622777319061485
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.78,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.11,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]