[
  {
    "molid": "mol17277",
    "smiles": "S=c1[nH]c(CCc2ccccc2)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=c1[nH]c(CCc2ccccc2)no1",
        "std_free_energy": -5.882778167724609,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=c1[n-]c(CCc2ccccc2)no1",
        "std_free_energy": -2.062382936477661,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]