[
  {
    "molid": "mol17891",
    "smiles": "CCOC(=N)NC(=N)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=N)NC(=N)Nc1ccc(Cl)cc1",
        "std_free_energy": -2.1734695434570312,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1",
        "std_free_energy": -8.304727554321289,
        "relative_population": 0.6049310076726637
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1",
        "std_free_energy": -7.878673553466797,
        "relative_population": 0.3950689923273363
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]