[
  {
    "molid": "mol9499",
    "smiles": "CC1(C)NC(=S)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)NC(=S)NC1=O",
        "std_free_energy": -6.722312927246094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)NC(=S)[N-]C1=O",
        "std_free_energy": -1.824303150177002,
        "relative_population": 0.752807309656772
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)[N-]C(=S)NC1=O",
        "std_free_energy": -0.7106620073318481,
        "relative_population": 0.24719269034322802
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.71000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]