[
  {
    "molid": "mol37200",
    "smiles": "O=S(=O)(O)CN[C@H]1CCCC[C@H]1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])C[NH2+][C@H]1CCCC[C@H]1Cl",
        "std_free_energy": -8.904582977294922,
        "relative_population": 0.9961103612282473
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CN[C@H]1CCCC[C@H]1Cl",
        "std_free_energy": -9.17818832397461,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]