[
  {
    "molid": "euroSAMPL-11",
    "smiles": "O=C(O)c1ccc2cccnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc2cccnc2n1",
        "std_free_energy": -5.073172569274902,
        "relative_population": 0.13568869456028756
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])c1ccc2cccnc2[nH+]1",
        "std_free_energy": -5.975686073303223,
        "relative_population": 0.33458024808637726
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])c1ccc2ccc[nH+]c2n1",
        "std_free_energy": -6.435178756713867,
        "relative_population": 0.5297310573533353
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc2cccnc2n1",
        "std_free_energy": -11.094657897949219,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]