[
  {
    "molid": "mol19014",
    "smiles": "CCN=S1(=O)NC(=O)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN=[S@]1(=O)NC(=O)c2ccccc21",
        "std_free_energy": -4.16853141784668,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN=[S@]1(=O)[N-]C(=O)c2ccccc21",
        "std_free_energy": -11.01716423034668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]