[
  {
    "molid": "mol37988",
    "smiles": "CN(C)c1ccc(-c2ccc3ccc(N(C)C)cc3[o+]2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(-c2ccc3ccc(N(C)C)cc3[o+]2)cc1",
        "std_free_energy": -4.9654693603515625,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN(C)c1ccc2ccc(-c3ccc([NH+](C)C)cc3)[o+]c2c1",
        "std_free_energy": 4.818136215209961,
        "relative_population": 0.8459549898256802
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CN(C)c1ccc(-c2ccc3ccc([NH+](C)C)cc3[o+]2)cc1",
        "std_free_energy": 6.521357536315918,
        "relative_population": 0.15404501017431976
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.09999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]