[
  {
    "molid": "mol9494",
    "smiles": "Cc1c[nH]c(=S)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c[nH]c(=S)[nH]c1=O",
        "std_free_energy": -6.49604606628418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c[n-]c(=S)[nH]c1=O",
        "std_free_energy": -4.033731460571289,
        "relative_population": 0.7619327830453531
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c[nH]c(=S)[n-]c1=O",
        "std_free_energy": -2.8704261779785156,
        "relative_population": 0.23806721695464703
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]