[
  {
    "molid": "mol34342",
    "smiles": "O=C(NCCCCO)C(=S)NCCCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NCCCCO)C(=S)NCCCCO",
        "std_free_energy": -7.364577770233154,
        "relative_population": 0.9999999919068447
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(NCCCCO)C(=S)[N-]CCCCO",
        "std_free_energy": 2.3548483848571777,
        "relative_population": 0.9237700501925376
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "O=C([N-]CCCCO)C(=S)NCCCCO",
        "std_free_energy": 4.932579040527344,
        "relative_population": 0.07015678488698768
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.0200004577637,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]