[
  {
    "molid": "mol15726",
    "smiles": "O=C1NC(=S)NC(=O)C1C1C=CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=S)NC(=O)C1[C@@H]1C=CCCC1",
        "std_free_energy": -6.512787342071533,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]C(=S)NC(=O)C1[C@@H]1C=CCCC1",
        "std_free_energy": -5.58100700378418,
        "relative_population": 0.9995335592722344
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1[N-]C(=S)[N-]C(=O)C1[C@@H]1C=CCCC1",
        "std_free_energy": 6.736761569976807,
        "relative_population": 0.4208114439652027
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=c1[n-]c(=S)[nH]c(=O)[c-]1[C@@H]1C=CCCC1",
        "std_free_energy": 6.417318344116211,
        "relative_population": 0.5791885560347974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.34999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.31,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]