[
  {
    "molid": "mol34186",
    "smiles": "O=S(=O)(CCS)CCS",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S(=O)(CCS)CCS",
        "std_free_energy": -5.984772205352783,
        "relative_population": 0.999992834410179
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(CC[S-])CCS",
        "std_free_energy": -2.0106048583984375,
        "relative_population": 0.9994161007626781
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]