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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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105332 50106943 1 O5N6C33H38 A5B6C33D38 -169.88 4.56 -8.78 -0.51 0
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105333 50106944 1 FO5N6C33H37 AB5C6D33E37 -218.57 11.32 -8.81 -0.65 0
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105334 50106949 1 FO5N6C33H37 AB5C6D33E37 -215.66 9.1 -8.9 -0.82 0
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105335 50106952 1 O5N6C31H42 A5B6C31D42 -212.0 4.67 -8.99 -0.35 0
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105336 50106956 1 N6O6C27H34 A6B6C27D34 -228.58 4.06 -8.92 -0.63 0
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105337 50106957 1 FO3N4C32H37 AB3C4D32E37 -147.35 8.58 -8.65 -0.41 0
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105338 50106958 1 BrFO3N4C29H30 ABC3D4E29F30 -122.83 8.3 -8.7 -0.4 0
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105339 50106959 1 FO3N4C31H35 AB3C4D31E35 -141.21 10.42 -8.65 -0.33 0
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105340 50106960 1 FN6O6C33H37 AB6C6D33E37 -252.24 5.56 -8.9 -0.57 0
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105341 50106962 1 FO5N6C29H37 AB5C6D29E37 -253.08 8.86 -8.87 -0.54 0
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105342 50106963 1 O4N5C27H35 A4B5C27D35 -152.85 8.9 -9.05 -0.38 0
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105343 50106966 1 SO4N7C24H33 AB4C7D24E33 -137.47 7.16 -8.99 -0.7 0
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105344 50106968 1 O5N6C34H46 A5B6C34D46 -223.12 7.4 -8.98 -0.5 0
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105345 50106970 1 O5N6C32H44 A5B6C32D44 -219.62 5.37 -9.03 -0.43 0
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105346 50106971 1 O5N6C29H38 A5B6C29D38 -194.05 9.2 -9.14 -0.47 0
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105347 50106972 1 O5N6C32H44 A5B6C32D44 -207.8 1.87 -9.2 -0.65 0
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105348 50106973 1 ClO5N6C34H39 AB5C6D34E39 -151.64 8.82 -8.73 -0.77 0
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105349 50106974 1 ClO5N6C35H41 AB5C6D35E41 -192.7 10.5 -8.81 -0.8 0
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105350 50106975 1 ClO5N6C28H35 AB5C6D28E35 -205.2 8.89 -8.88 -0.88 0
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105351 50106980 1 FO4N5C33H38 AB4C5D33E38 -163.37 3.86 -8.89 -0.6 0
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105352 50106981 1 F2O4N5C32H35 A2B4C5D32E35 -202.2 8.26 -8.95 -0.56 0
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105353 50106982 1 F2O4N5C32H35 A2B4C5D32E35 -200.44 4.61 -8.89 -0.53 0
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105354 50106985 1 O4N5C30H41 A4B5C30D41 -154.63 6.36 -9.01 -0.35 0
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105355 50106986 1 FO4N5C33H38 AB4C5D33E38 -165.16 9.29 -8.87 -0.6 0
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105356 50106990 1 FO4N5C33H38 AB4C5D33E38 -170.28 2.91 -8.78 -0.75 0