[
  {
    "molid": "mol35380",
    "smiles": "CCCCCCP(=O)(O)SCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC[P@](=O)(O)SCC",
        "std_free_energy": -2.447650909423828,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCC[CH-][P@](=O)(O)SCC",
        "std_free_energy": 6.111750602722168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]