[
  {
    "molid": "mol8914",
    "smiles": "O=P(O)(O)C(O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])C(O)P(=O)([O-])[O-]",
        "std_free_energy": -14.419265747070312,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])C(O)P(=O)([O-])O",
        "std_free_energy": -14.411048889160156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)C(O)P(=O)(O)O",
        "std_free_energy": -10.812654495239258,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)C(O)P(=O)([O-])O",
        "std_free_energy": -14.292230606079102,
        "relative_population": 0.7355691189741569
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C(O)P(=O)(O)O",
        "std_free_energy": -13.269165992736816,
        "relative_population": 0.264430881025843
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.56,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.74,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.05,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]