[
  {
    "molid": "mol9116",
    "smiles": "COP(=O)(NS(C)(=O)=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COP(=O)(NS(C)(=O)=O)OC",
        "std_free_energy": -4.036911487579346,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COP(=O)([N-]S(C)(=O)=O)OC",
        "std_free_energy": -11.099685668945312,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]