[
  {
    "molid": "mol9459",
    "smiles": "O=C[C@H](O)[C@H](O)[C@H](O)C(O)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C[C-](O)[C@H]([O-])[C@H](O)[C@H](O)OP(=O)([O-])[O-]",
        "std_free_energy": 6.192956447601318,
        "relative_population": 0.06153394500533657
      },
      {
        "id": "-4_3",
        "charge": -4,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)[C@H]([O-])OP(=O)([O-])[O-]",
        "std_free_energy": 5.7520952224731445,
        "relative_population": 0.09562652110282542
      },
      {
        "id": "-4_17",
        "charge": -4,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@H](O)[C@H]([O-])OP(=O)([O-])O",
        "std_free_energy": 5.725180625915527,
        "relative_population": 0.09823521888720835
      },
      {
        "id": "-4_21",
        "charge": -4,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@H](O)[C@H](O)OP(=O)([O-])[O-]",
        "std_free_energy": 5.267862319946289,
        "relative_population": 0.15519511030789343
      },
      {
        "id": "-4_22",
        "charge": -4,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@H]([O-])[C@H](O)OP(=O)([O-])O",
        "std_free_energy": 6.259305953979492,
        "relative_population": 0.05758369573471101
      },
      {
        "id": "-3_8",
        "charge": -3,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)[C@H](O)OP(=O)([O-])[O-]",
        "std_free_energy": -1.4033313989639282,
        "relative_population": 0.9743007487760583
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.05,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]