[
  {
    "molid": "mol36917",
    "smiles": "O=C(CS)NCCO",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(CS)NCCO",
        "std_free_energy": -6.5778913497924805,
        "relative_population": 0.9999676956940876
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(C[S-])NCCO",
        "std_free_energy": -2.6990303993225098,
        "relative_population": 0.9998406603404267
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]