[
  {
    "molid": "mol16616",
    "smiles": "CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1",
        "std_free_energy": -3.49552321434021,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)C[NH2+]Cc1cc2sc(S(N)(=O)=O)cc2s1",
        "std_free_energy": -7.9745612144470215,
        "relative_population": 0.9911989174594267
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]