[
  {
    "molid": "mol34097",
    "smiles": "CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)[O-]",
        "std_free_energy": -8.761248588562012,
        "relative_population": 0.9999078053576537
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)C[C@H](N)C(=O)[N-]CC(=O)NCC(=O)[O-]",
        "std_free_energy": 2.461742401123047,
        "relative_population": 0.22480520855041372
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(C)C[C@H](N)C(=O)NCC(=O)[N-]CC(=O)[O-]",
        "std_free_energy": 1.2240307331085205,
        "relative_population": 0.7750642704082356
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]