[
  {
    "molid": "mol36725",
    "smiles": "O=C(O)c1ccccc1N=C(c1ccccc1)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1N=C(c1ccccc1)c1ccccc1O",
        "std_free_energy": -4.959784030914307,
        "relative_population": 0.07585396497112953
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH+]=C(c1ccccc1)c1ccccc1O",
        "std_free_energy": -7.459835052490234,
        "relative_population": 0.9241376199111028
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)c1ccccc1[NH+]=C(c1ccccc1)c1ccccc1O",
        "std_free_energy": 3.621370792388916,
        "relative_population": 0.9991362642187701
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]