[
  {
    "molid": "mol17635",
    "smiles": "CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)NO)cc2)cc1",
        "std_free_energy": -6.956235408782959,
        "relative_population": 0.9998560609522477
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)N[O-])cc2)cc1",
        "std_free_energy": -1.528477668762207,
        "relative_population": 0.917688579001489
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C)c1ccc(C(=O)[N-]/N=C/c2ccc(C(=O)NO)cc2)cc1",
        "std_free_energy": 0.8828705549240112,
        "relative_population": 0.08231142099851099
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]