[
  {
    "molid": "mol37206",
    "smiles": "O=S(=O)(O)c1ccccc1N=C1CCCN1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)([O-])c1ccccc1[NH+]=C1CCCN1",
        "std_free_energy": -8.714179039001465,
        "relative_population": 0.9889757196215767
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccccc1N=C1CCCN1",
        "std_free_energy": -6.534383296966553,
        "relative_population": 0.999999510019693
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.57999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]