[
  {
    "molid": "mol25630",
    "smiles": "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2ccc([C@H](c3ccccc3)n3ccnc3)cc2)cc1",
        "std_free_energy": -5.031783103942871,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2ccc([C@H](c3ccccc3)n3cc[nH+]c3)cc2)cc1",
        "std_free_energy": -5.1306281089782715,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]