[
  {
    "molid": "mol35382",
    "smiles": "CCCCCCP(=O)(O)SCCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC[P@](=O)(O)SCCCC",
        "std_free_energy": -2.3861474990844727,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCC[CH-][P@](=O)(O)SCCCC",
        "std_free_energy": 6.375422477722168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]