[
  {
    "molid": "mol17583",
    "smiles": "CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1",
        "std_free_energy": -6.139945030212402,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1ccc(C(=O)NN(C(=[OH+])c2cc(C)cc(C)c2)C(C)(C)C)cc1",
        "std_free_energy": 7.781223297119141,
        "relative_population": 0.9030976738855702
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1ccc(C(=[OH+])NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1",
        "std_free_energy": 10.013350486755371,
        "relative_population": 0.09690232611442987
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]