[
  {
    "molid": "mol24951",
    "smiles": "C[N+](C)(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1",
    "microspecies": [
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C[N+](C)(C)c1ccc(/[NH+]=[NH+]/c2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": 13.411701202392578,
        "relative_population": 0.9868398347576905
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C[N+](C)(C)c1ccc(/[NH+]=[NH+]/c2ccc(S(=O)(=O)O)cc2)cc1",
        "std_free_energy": 18.77566146850586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.95,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]