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        "molfile": "Pigment Red 179\n   JSDraw209142214152D\n\n 32 38  0  0  0  0              0 V2000\n   28.5966   -2.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   31.2990   -6.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   31.2987   -3.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7890   -8.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4914  -13.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7894  -11.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.8948   -6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.2458   -6.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.8948   -8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.5437   -6.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.2458   -4.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.5970   -6.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.5437   -9.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.2460   -9.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1927   -6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.5437   -4.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.5966   -3.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.8948   -3.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.9479   -6.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.5969   -8.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1927   -8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.5443  -10.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8418   -6.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.9478   -4.5754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8418   -9.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.1932  -11.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4908   -6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4908   -8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8421  -10.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1401   -9.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4914  -11.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1404  -10.8165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1 17  2  0  0  0  0\n  2 19  2  0  0  0  0\n  3 24  1  0  0  0  0\n  4 30  2  0  0  0  0\n  5 31  2  0  0  0  0\n  6 32  1  0  0  0  0\n  7  8  2  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n  8 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n  9 13  1  0  0  0  0\n  9 14  2  0  0  0  0\n 10 15  1  0  0  0  0\n 10 16  2  0  0  0  0\n 11 17  1  0  0  0  0\n 11 18  2  0  0  0  0\n 12 19  1  0  0  0  0\n 12 20  2  0  0  0  0\n 13 21  1  0  0  0  0\n 13 22  2  0  0  0  0\n 14 20  1  0  0  0  0\n 15 21  1  0  0  0  0\n 15 23  2  0  0  0  0\n 16 18  1  0  0  0  0\n 17 24  1  0  0  0  0\n 19 24  1  0  0  0  0\n 21 25  2  0  0  0  0\n 22 26  1  0  0  0  0\n 23 27  1  0  0  0  0\n 25 28  1  0  0  0  0\n 25 29  1  0  0  0  0\n 26 29  2  0  0  0  0\n 27 28  2  0  0  0  0\n 28 30  1  0  0  0  0\n 29 31  1  0  0  0  0\n 30 32  1  0  0  0  0\n 31 32  1  0  0  0  0\nM  END",
        "smiles": "CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c46)C(=O)N(C)C5=O",
        "formula": "C26H14N2O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "418.4013",
        "optical_activity": "NONE",
        "references": [
          "73271e4d-2fff-4d94-9c1b-9b91ccd40881"
        ],
        "stereo_centers": 0
      },
      "unii": "2B7V5NT69F"
    }
  ]
}