[
  {
    "molid": "mol34756",
    "smiles": "CC(C)OP(C)(=O)SCCN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)O[P@](C)(=O)SCCN(C)C",
        "std_free_energy": -3.745267629623413,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)O[P@](C)(=O)SCC[NH+](C)C",
        "std_free_energy": -7.233237266540527,
        "relative_population": 0.9957186051992455
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.76999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]