[
  {
    "molid": "mol34317",
    "smiles": "CCCCSC1=CC(=O)C(O)=CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCSC1=CC(=O)C(O)=CC1=O",
        "std_free_energy": -2.2836084365844727,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCSC1=CC(=O)C([O-])=CC1=O",
        "std_free_energy": -6.629684925079346,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]