[
  {
    "molid": "mol28895",
    "smiles": "CCOP(=O)(O)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO[P@@](=O)(O)CC",
        "std_free_energy": -2.7688724994659424,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCO[P@@](=O)([O-])CC",
        "std_free_energy": -10.864168167114258,
        "relative_population": 0.9999999188874341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.82000005245209,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]