[
  {
    "molid": "mol35192",
    "smiles": "CCCC1N[C@H](C(=O)O)CS1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC[C@@H]1[NH2+][C@H](C(=O)[O-])CS1",
        "std_free_energy": -9.02262020111084,
        "relative_population": 0.9948079404983143
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC[C@@H]1N[C@H](C(=O)[O-])CS1",
        "std_free_energy": -10.304061889648438,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]