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        "molfile": "\n  Marvin  01132107542D          \n\n 28 29  0  0  0  0            999 V2000\n    9.4130   -2.1299    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    5.9290   -5.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1289   -5.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8545   -4.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0265   -4.3905    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4127   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1709   -4.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4592   -4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1057   -3.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2870   -3.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8405   -2.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1149   -1.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8871   -1.3251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4358   -0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0266    0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8499    0.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2733   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1291   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3011    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1291    1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5988   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2314   -1.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9895   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0919   -2.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8362   -2.6881    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.4174   -2.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7011   -2.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5335   -1.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  2  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4  6  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  2  0  0  0  0\n  2  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 16  1  0  0  0  0\n 20 19  1  0  0  0  0\n 13 21  1  0  0  0  0\n 22 21  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 25 24  1  0  0  0  0\n 24 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 21 27  2  0  0  0  0\n 27  9  1  0  0  0  0\n 28 12  2  0  0  0  0\nM  END",
        "smiles": "CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl.Cl",
        "formula": "C21H23ClFN3O.ClH",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "424.3398",
        "optical_activity": "NONE",
        "references": [
          "8b1e3de7-be47-4b76-9812-c8446086015b",
          "582dbaff-2dab-4cd9-a3b8-1dea9351980e"
        ],
        "stereo_centers": 0
      },
      "unii": "7C4JH842IJ"
    }
  ]
}