[
  {
    "molid": "mol36922",
    "smiles": "O=P(O)(O)SCCO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P(O)(O)SCC[O-]",
        "std_free_energy": 4.3756327629089355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]