[
  {
    "molid": "mol32193",
    "smiles": "CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(/C=N/O)c2)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCOC(=O)Cc1csc(NC(=O)C[n+]2cccc(/C=N/[O-])c2)n1",
        "std_free_energy": -2.2477455139160156,
        "relative_population": 0.09188533128525851
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CCOC(=O)Cc1csc([N-]C(=O)C[n+]2cccc(/C=N/O)c2)n1",
        "std_free_energy": -4.5272722244262695,
        "relative_population": 0.8979084470859661
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)Cc1csc([N-]C(=O)C[n+]2cccc(/C=N/[O-])c2)n1",
        "std_free_energy": -1.8332871198654175,
        "relative_population": 0.9465654112947338
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]