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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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91699 49978339 1 FN6O6C38H45 AB6C6D38E45 -263.3 6.25 -8.88 -0.51 0
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91700 49978341 1 BrN6O6C31H39 AB6C6D31E39 -232.56 6.37 -9.17 -0.74 0
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91701 49978348 1 ClN6O6C33H43 AB6C6D33E43 -253.32 7.13 -8.72 -0.48 0
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91703 49978370 2 N3O3C17H23 A3B3C17D23 -252.16 5.75 -9.18 -0.61 0
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91704 49978387 1 ClN6O6C35H47 AB6C6D35E47 -263.58 11.88 -8.99 -1.02 0
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91705 49978388 1 ClN6O6C32H41 AB6C6D32E41 -242.81 14.26 -8.88 -1.04 0
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91706 49978408 6 NOC6H8 ABC6D8 -247.09 12.45 -8.88 -0.57 0
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91707 49978410 2 N3O3C19H26 A3B3C19D26 -257.79 10.81 -8.87 -0.56 0
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91708 49978411 1 N6O6C35H48 A6B6C35D48 -249.69 6.8 -8.68 -0.89 0
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91709 49978412 2 N3O3C16H21 A3B3C16D21 -229.59 11.3 -9.03 -0.47 0
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91710 49978424 1 N6O6C37H44 A6B6C37D44 -206.72 12.32 -8.9 -0.93 0
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91711 49978426 1 ClN6O6C37H43 AB6C6D37E43 -213.85 8.89 -8.97 -1.22 0
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91712 49978429 1 ClN6O6C33H43 AB6C6D33E43 -240.59 6.48 -9.08 -0.88 0
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91713 49978431 1 ClN6O6C37H49 AB6C6D37E49 -256.0 8.42 -9.12 -0.77 0
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91714 49978436 1 ClN6O6C37H49 AB6C6D37E49 -254.08 5.3 -9.2 -0.74 0
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91715 49978441 1 ClN5O5C31H40 AB5C5D31E40 -209.57 4.68 -8.84 -0.22 0
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91716 49978442 1 ClN5O5C31H40 AB5C5D31E40 -208.12 10.11 -8.69 -0.15 0
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91717 49978444 1 FN6O6C38H45 AB6C6D38E45 -254.4 5.25 -8.98 -0.41 0
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91718 49978447 1 FN6O6C38H45 AB6C6D38E45 -254.67 6.7 -9.23 -0.61 0
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91719 49978448 1 FN6O6C38H45 AB6C6D38E45 -253.4 9.43 -8.93 -0.64 0
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91720 49978450 1 N6O6C37H44 A6B6C37D44 -198.62 8.94 -8.87 -0.47 0
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91721 49978455 1 FN6O6C37H43 AB6C6D37E43 -254.12 11.18 -8.9 -0.95 0
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91722 49978458 1 FN6O6C37H43 AB6C6D37E43 -254.61 10.38 -8.85 -1.01 0
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91723 49978459 1 F2N6O6C37H42 A2B6C6D37E42 -302.63 12.93 -8.77 -1.35 0
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91724 49978468 1 ClN6O6C36H47 AB6C6D36E47 -255.43 11.36 -8.76 -1.02 0