[
  {
    "molid": "mol31638",
    "smiles": "O/N=C1/c2ccccc2/C(=N/O)c2c(O)cccc21",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O/N=C1/c2ccccc2/C(=N/O)c2c(O)cccc21",
        "std_free_energy": -6.884681701660156,
        "relative_population": 0.9999774199441671
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C1/c2ccccc2/C(=N/O)c2c(O)cccc21",
        "std_free_energy": -0.7039467692375183,
        "relative_population": 0.11226075372381226
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1cccc2c1/C(=N\\O)c1ccccc1/C2=N/O",
        "std_free_energy": -2.577981948852539,
        "relative_population": 0.7313261304888038
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-]/N=C1/c2ccccc2/C(=N/O)c2cccc(O)c21",
        "std_free_energy": -1.0353423357009888,
        "relative_population": 0.1563692019192949
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]