[
  {
    "molid": "mol29337",
    "smiles": "[N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 8.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]