[
  {
    "molid": "mol30957",
    "smiles": "O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])c1ccc(/N=N/c2ccc([NH2+]c3ccccc3)cc2)cc1",
        "std_free_energy": 1.4294373989105225,
        "relative_population": 0.058172575868668606
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1",
        "std_free_energy": -1.2595689296722412,
        "relative_population": 0.8561284020287069
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1",
        "std_free_energy": -12.234101295471191,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]