[
  {
    "molid": "mol35819",
    "smiles": "Cc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc21",
        "std_free_energy": -6.445343971252441,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1C1=[NH+]CC(=O)Nc2ccc(Cl)cc21",
        "std_free_energy": -0.12010866403579712,
        "relative_population": 0.9791799583748878
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1C1=NCC(=O)[N-]c2ccc(Cl)cc21",
        "std_free_energy": 5.948007583618164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.960000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.14000010490417,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]