[
  {
    "molid": "SAMPL8-8",
    "smiles": "COC(=O)c1cn2cccc(C(F)(F)F)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1cn2cccc(C(F)(F)F)c2n1",
        "std_free_energy": -6.547664165496826,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)c1cn2cccc(C(F)(F)F)c2[nH+]1",
        "std_free_energy": 4.735918045043945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.78,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL8"
      }
    ]
  }
]