[
  {
    "molid": "mol32501",
    "smiles": "Cc1cc(N=Nc2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N=Nc2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)c1O",
        "std_free_energy": -1.526368498802185,
        "relative_population": 0.8949923953354038
      },
      {
        "id": "0_8",
        "charge": 0,
        "smiles": "Cc1cc(N=Nc2ccc(S([NH3+])(=O)=O)cc2)cc(C(=O)[O-])c1O",
        "std_free_energy": 0.7991430759429932,
        "relative_population": 0.08747067957717611
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "Cc1cc(N=Nc2ccc(S(N)(=O)=O)cc2)cc(C(=O)[O-])c1O",
        "std_free_energy": -11.85793399810791,
        "relative_population": 0.9995462175749074
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]