[
  {
    "molid": "mol33599",
    "smiles": "CCOc1cccc(N(C)N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1cccc(N(C)N)c1",
        "std_free_energy": -4.661846160888672,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1cccc([NH+](C)N)c1",
        "std_free_energy": -2.2065234184265137,
        "relative_population": 0.43478521503559225
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1cccc(N(C)[NH3+])c1",
        "std_free_energy": -2.468877077102661,
        "relative_population": 0.5652147849644077
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.71999979019165,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]