[
  {
    "molid": "SAMPL8-23",
    "smiles": "Cc1nc2cc(O)ccc2s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2cc(O)ccc2s1",
        "std_free_energy": -6.23256778717041,
        "relative_population": 0.9999988974161431
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c2cc(O)ccc2s1",
        "std_free_energy": 0.8181577920913696,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2cc([O-])ccc2s1",
        "std_free_energy": -0.4609258472919464,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL8"
      },
      {
        "pka_value": 2.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL8"
      }
    ]
  }
]