[
  {
    "molid": "mol3662",
    "smiles": "On1ccccc1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "On1ccccc1=S",
        "std_free_energy": -5.8972907066345215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "On1ccccc1=[SH+]",
        "std_free_energy": 13.376094818115234,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]n1ccccc1=S",
        "std_free_energy": -3.7589526176452637,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -1.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]