[
  {
    "molid": "mol34065",
    "smiles": "O=S(=O)(O)CCCN(CCO)CCO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)([O-])CCC[NH+](CCO)CCO",
        "std_free_energy": -9.631542205810547,
        "relative_population": 0.998540414613498
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CCCN(CCO)CCO",
        "std_free_energy": -6.66335391998291,
        "relative_population": 0.9999991774350391
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]