[
  {
    "molid": "mol7396",
    "smiles": "CN(C)c1nccc(=S)n1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1nccc(=S)n1C",
        "std_free_energy": -6.938181400299072,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1[nH+]ccc(=S)n1C",
        "std_free_energy": 0.03502589091658592,
        "relative_population": 0.5054749120362296
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c([NH+](C)C)nccc1=S",
        "std_free_energy": 0.056926414370536804,
        "relative_population": 0.4945250879637703
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]