[
  {
    "molid": "mol36640",
    "smiles": "COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1",
        "std_free_energy": -6.008095741271973,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1ccccc1NC(=S)[N-]C(=O)c1ccccc1",
        "std_free_energy": -3.155949831008911,
        "relative_population": 0.6007295144404804
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)c1ccccc1[N-]C(=S)NC(=O)c1ccccc1",
        "std_free_energy": -2.7474441528320312,
        "relative_population": 0.39927048555951955
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]