[
  {
    "molid": "mol10811",
    "smiles": "CCC(C)P(O)(=S)C(C)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C)[P@](O)(=S)[C@@H](C)CC",
        "std_free_energy": -3.405101776123047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]