[
  {
    "molid": "mol31595",
    "smiles": "O=[N+]([O-])c1ccc(O)c(/C=N/O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(O)c(/C=N/O)c1",
        "std_free_energy": -5.041407108306885,
        "relative_population": 0.9999201750833605
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([O-])c(/C=N/O)c1",
        "std_free_energy": -4.3859543800354,
        "relative_population": 0.9570610200514269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]