[
  {
    "molid": "mol37689",
    "smiles": "CN(C)c1ccc(C(C)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C(C)(c2ccc(N(C)C)cc2)c2cccc(Br)c2)cc1",
        "std_free_energy": -5.666227340698242,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C(C)(c2ccc([NH+](C)C)cc2)c2cccc(Br)c2)cc1",
        "std_free_energy": -3.3116745948791504,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]