[
  {
    "molid": "mol11725",
    "smiles": "Cn1c(=S)[nH]c2cc3c(cc21)CCCC3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=S)[nH]c2cc3c(cc21)CCCC3",
        "std_free_energy": -6.478253364562988,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=S)[n-]c2cc3c(cc21)CCCC3",
        "std_free_energy": 3.4543933868408203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]