[
  {
    "molid": "mol35908",
    "smiles": "CCOc1ccc(Nc2nnn[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(Nc2nnn[nH]2)cc1",
        "std_free_energy": -6.168327331542969,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOc1ccc(Nc2nnn[n-]2)cc1",
        "std_free_energy": -6.735170364379883,
        "relative_population": 0.9999465850430718
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.20900011062622,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]