[
  {
    "molid": "mol35699",
    "smiles": "Cc1ccc2c(c1)/C(c1ccccc1)=N\\NCC(=O)N2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)/C(c1ccccc1)=[NH+]\\NCC(=O)N2",
        "std_free_energy": -1.3588171005249023,
        "relative_population": 0.45149363511290364
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc2c(c1)/C(c1ccccc1)=N\\[NH2+]CC(=O)N2",
        "std_free_energy": -1.5333205461502075,
        "relative_population": 0.5375730841015184
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cc1ccc2c(c1)/C(c1ccccc1)=[NH+]\\[NH2+]CC(=O)N2",
        "std_free_energy": 2.7948668003082275,
        "relative_population": 0.9999997642957142
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]