[
  {
    "molid": "mol31563",
    "smiles": "NC(=O)/C(=N/O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)/C(=N/O)c1ccccc1",
        "std_free_energy": -7.345252990722656,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)/C(=N/[O-])c1ccccc1",
        "std_free_energy": -0.43163418769836426,
        "relative_population": 0.9917042817024226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.55000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]