[
  {
    "molid": "mol38445",
    "smiles": "CN(C)c1ccc(/N=N\\c2ccc(S(=O)(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(/N=N\\c2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -3.3918089866638184,
        "relative_population": 0.937003345407622
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(/N=N\\c2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -11.813986778259277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]