[
  {
    "molid": "mol36661",
    "smiles": "CON=C(C)c1cc(C)cc(C(=O)Nc2nnn[nH]2)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CON=C(C)c1cc(C)cc(C(=O)Nc2nnn[nH]2)c1O",
        "std_free_energy": -5.267878532409668,
        "relative_population": 0.9997742343630868
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CON=C(C)c1cc(C)cc(C(=O)Nc2nnn[nH]2)c1[O-]",
        "std_free_energy": -1.5938096046447754,
        "relative_population": 0.22113267583946475
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CON=C(C)c1cc(C)cc(C(=O)Nc2nnn[n-]2)c1O",
        "std_free_energy": -1.81610107421875,
        "relative_population": 0.2761804162217061
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CON=C(C)c1cc(C)cc(C(=O)[N-]c2nnn[nH]2)c1O",
        "std_free_energy": -2.4150142669677734,
        "relative_population": 0.5026869079388292
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]