[
  {
    "molid": "mol36180",
    "smiles": "O=C(O)CNC(=O)c1ccc(N=Cc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CNC(=O)c1ccc(N=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -10.527477264404297,
        "relative_population": 0.9976225914320789
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CNC(=O)c1ccc(N=Cc2ccc([O-])cc2)cc1",
        "std_free_energy": -3.408538818359375,
        "relative_population": 0.6355277946088266
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])C[N-]C(=O)c1ccc(N=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -2.847313642501831,
        "relative_population": 0.3625747465487385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.40000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]