[
  {
    "molid": "mol32195",
    "smiles": "CCOC(=O)c1csc(NC(=O)C[n+]2ccc(/C=N/O)cc2)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOC(=O)c1csc(NC(=O)C[n+]2ccc(/C=N/[O-])cc2)n1",
        "std_free_energy": -2.168501377105713,
        "relative_population": 0.059998006484847856
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCOC(=O)c1csc([N-]C(=O)C[n+]2ccc(/C=N/O)cc2)n1",
        "std_free_energy": -4.913695335388184,
        "relative_population": 0.9340269523329943
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCOC(=O)c1csc([N-]C(=O)C[n+]2ccc(/C=N/[O-])cc2)n1",
        "std_free_energy": -2.187258243560791,
        "relative_population": 0.9430062054424314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]