[
  {
    "molid": "mol11633",
    "smiles": "O=C(O)CCCCCCCCCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CCCCCCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -11.387697219848633,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -10.579472541809082,
        "relative_population": 0.9644630883889953
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCCCCCCCCCP(=O)([O-])O",
        "std_free_energy": -12.840940475463867,
        "relative_population": 0.942216746124639
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C(O)CCCCCCCCCCP(=O)([O-])[O-]",
        "std_free_energy": -10.04940414428711,
        "relative_population": 0.057783253875361026
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.25,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]