[
  {
    "molid": "mol9909",
    "smiles": "Cc1[nH]c(=S)[nH]c(=O)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]c(=S)[nH]c(=O)c1C",
        "std_free_energy": -6.524606704711914,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1[nH]c(=S)[n-]c(=O)c1C",
        "std_free_energy": -3.2105166912078857,
        "relative_population": 0.43299337705428886
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1[n-]c(=S)[nH]c(=O)c1C",
        "std_free_energy": -3.4801652431488037,
        "relative_population": 0.567006622945711
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.06,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]