[
  {
    "molid": "mol36850",
    "smiles": "CN(C)c1cc[n+](C=C(O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc[n+](C=C([O-])c2ccccc2)cc1",
        "std_free_energy": -7.396859169006348,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cc[n+](C=C(O)c2ccccc2)cc1",
        "std_free_energy": -6.123083591461182,
        "relative_population": 0.9999999850841741
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.65999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]