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20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 24 23 1 0 0 0 0\n 25 24 2 0 0 0 0\n 20 25 1 0 0 0 0\n 23 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 27 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 2 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 2 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 2 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 40 39 1 0 0 0 0\n 41 40 2 0 0 0 0\n 35 41 1 0 0 0 0\n 40 42 1 0 0 0 0\n 32 43 1 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 29 45 2 0 0 0 0\n 44 46 2 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 2 0 0 0 0\n 49 48 1 0 0 0 0\n 43 49 2 0 0 0 0\n 18 50 2 0 0 0 0\n 13 51 2 0 0 0 0\n 51 52 1 0 0 0 0\n 53 52 2 0 0 0 0\n 54 53 1 0 0 0 0\n 12 54 2 0 0 0 0\nM END", "smiles": "c1ccc2c(c1)cc(c(c2/N=N/c3cc(ccc3Cl)Cl)O)C(=O)Nc4ccc(cc4)NC(=O)c5cc6ccccc6c(c5O)/N=N/c7cc(ccc7Cl)Cl", "formula": "C40H24Cl4N6O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "794.4696", "optical_activity": "NONE", "references": [ "6b7fc89a-e3b4-4147-ba89-0a5f8c719a25" ], "stereo_centers": 0 }, "unii": "2X2HR8CGT2" } ] }