[
  {
    "molid": "mol36038",
    "smiles": "CCP(=S)(CC)C(S)=NN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCP(=S)(CC)C([S-])=N[NH+](C)C",
        "std_free_energy": -4.409677505493164,
        "relative_population": 0.5840359194108729
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCP(=S)(CC)C(S)=NN(C)C",
        "std_free_energy": -4.070313930511475,
        "relative_population": 0.4159640805891271
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCP(=S)(CC)C([S-])=NN(C)C",
        "std_free_energy": -6.077442169189453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]