[
  {
    "molid": "mol34428",
    "smiles": "CCP(=O)(CC)CCP(=O)(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCP(=O)(CC)CC[P@](=O)(O)c1ccccc1",
        "std_free_energy": -2.65159273147583,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCP(=O)(CC)CC[P@](=O)([O-])c1ccccc1",
        "std_free_energy": -10.83736515045166,
        "relative_population": 0.9999996586795903
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.38000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]