[
  {
    "molid": "mol8850",
    "smiles": "CCOc1cccc(NN)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1cccc(NN)c1",
        "std_free_energy": -5.445769786834717,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1cccc([NH2+]N)c1",
        "std_free_energy": -1.0217032432556152,
        "relative_population": 0.3536064313008695
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1cccc(N[NH3+])c1",
        "std_free_energy": -1.624927282333374,
        "relative_population": 0.6463935686991306
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.1399998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]