[
  {
    "molid": "mol23884",
    "smiles": "Cc1cccc2cc(N(C)C)cc(C)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc2cc(N(C)C)cc(C)c12",
        "std_free_energy": -5.757616996765137,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc2cc([NH+](C)C)cc(C)c12",
        "std_free_energy": -1.8799761533737183,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.53000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]