[
  {
    "molid": "mol16143",
    "smiles": "O=C1NC(=O)/C(=C/c2ccccc2)S1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)/C(=C/c2ccccc2)S1",
        "std_free_energy": -4.845848083496094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)/C(=C/c2ccccc2)S1",
        "std_free_energy": -5.648896217346191,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]