[
  {
    "molid": "mol35377",
    "smiles": "CCCCCCOP(=O)(O)C(Cl)(Cl)P(=O)(OCCCCCC)OCCCCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCOP(=O)(OCCCCCC)C(Cl)(Cl)[P@@](=O)(O)OCCCCCC",
        "std_free_energy": -1.6668614149093628,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCOP(=O)(OCCCCCC)C(Cl)(Cl)[P@@](=O)([O-])OCCCCCC",
        "std_free_energy": -11.70385456085205,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.17000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]