[
  {
    "molid": "euroSAMPL-21",
    "smiles": "CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)O)n2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)O)n2n1",
        "std_free_energy": -4.555279731750488,
        "relative_population": 0.6423539074076989
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc2[nH+]c(C3CC3)cc(C(=O)[O-])n2n1",
        "std_free_energy": -3.8729729652404785,
        "relative_population": 0.3246775847289731
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)[O-])n2n1",
        "std_free_energy": -11.60008430480957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]