[
  {
    "molid": "mol32039",
    "smiles": "CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1",
        "std_free_energy": -5.152395248413086,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)CCCCC1",
        "std_free_energy": -4.476684093475342,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]