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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94903 50004772 1 O5N6C39H50 A5B6C39D50 -202.08 11.98 -8.76 -1.01 0
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94904 50004826 1 O5N6C38H54 A5B6C38D54 -240.43 4.03 -8.8 -0.16 0
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94905 50004834 1 ClO5N6C35H49 AB5C6D35E49 -239.03 9.35 -9.03 -0.9 0
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94906 50004835 1 ClO5N6C32H43 AB5C6D32E43 -220.08 9.26 -8.88 -0.99 0
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94907 50004840 1 ClO5N6C33H45 AB5C6D33E45 -216.04 10.29 -8.74 -0.84 0
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94908 50004863 1 O5N6C38H48 A5B6C38D48 -196.98 5.56 -8.88 -0.4 0
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94909 50004869 1 ClO5N6C35H49 AB5C6D35E49 -241.87 12.74 -8.7 -1.1 0
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94910 50004876 1 ClO5N6C31H39 AB5C6D31E39 -204.93 10.57 -8.77 -0.67 0
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94911 50004880 1 ClO5N6C32H41 AB5C6D32E41 -215.04 10.48 -8.83 -1.06 0
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94912 50004884 1 ClO5N6C33H37 AB5C6D33E37 -166.78 10.14 -9.14 -1.27 0
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94913 50004885 1 ClO5N6C34H39 AB5C6D34E39 -183.53 3.22 -8.82 -0.9 0
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94914 50004891 1 O5N6C37H52 A5B6C37D52 -230.04 4.92 -9.0 -0.29 0
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94915 50004896 1 FO5N6C38H47 AB5C6D38E47 -242.78 11.06 -8.92 -0.5 0
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94916 50004897 1 F2O5N6C38H46 A2B5C6D38E46 -283.16 12.47 -9.1 -0.56 0
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94917 50004910 1 FO5N6C37H45 AB5C6D37E45 -231.47 4.95 -8.48 -0.7 0
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94918 50004911 1 FO5N6C37H45 AB5C6D37E45 -231.43 4.66 -8.42 -0.65 0
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94919 50004913 2 N3O3C19H24 A3B3C19D24 -227.56 8.04 -8.14 -0.48 0
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94920 50004915 1 O5N6C34H48 A5B6C34D48 -232.74 7.73 -8.35 -0.17 0
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94921 50004944 1 ClO5N6C38H47 AB5C6D38E47 -193.52 6.25 -8.68 -0.86 0
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94922 50004946 1 O5N6C38H48 A5B6C38D48 -185.52 6.94 -8.82 -0.53 0
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94923 50004947 1 FO5N6C38H47 AB5C6D38E47 -241.52 8.33 -8.39 -0.66 0
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94924 50004951 2 N3O3C17H20 A3B3C17D20 -203.38 2.65 -8.22 -0.53 0
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94925 50004971 1 BrO5N6C33H45 AB5C6D33E45 -214.77 10.65 -8.83 -0.86 0
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94927 50004996 1 ClO5N6C36H49 AB5C6D36E49 -232.68 8.95 -9.16 -0.94 0
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94928 50004999 1 ClO5N6C36H49 AB5C6D36E49 -235.64 7.7 -8.54 -0.62 0