[
  {
    "molid": "mol36409",
    "smiles": "CC(=O)Oc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Oc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -7.5891194343566895,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)Oc1ccc(/N=N/c2ccc([NH+](C)C)cc2)cc1",
        "std_free_energy": 1.4665459394454956,
        "relative_population": 0.6614443188340103
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=[OH+])Oc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": 3.1995275020599365,
        "relative_population": 0.11691465723543391
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(=O)Oc1ccc(/N=[NH+]/c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": 2.55991268157959,
        "relative_population": 0.22164102393055576
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]