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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83101 49857147 1 BrNO2C16H20 ABC2D16E20 -63.08 1.82 -8.66 -0.51 0
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83102 49857148 1 O2C13H14 A2B13C14 -51.69 2.1 -8.39 -0.28 0
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83103 49857149 1 OC13H14 AB13C14 -4.18 1.48 -8.45 -0.31 0
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83104 49857150 2 OC7H8 AB7C8 -47.6 1.65 -8.24 -0.13 0
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83105 49857151 3 OC5H6 AB5C6 -79.77 2.48 -7.93 -0.26 0
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83106 49857152 1 SF2N5O9C38H43 AB2C5D9E38F43 -393.84 2.68 -9.12 -0.81 0
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83107 49857153 2 N2O4C18H21 A2B4C18D21 -287.32 10.7 -9.26 -1.02 0
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83108 49857154 1 SN5O9C40H49 AB5C9D40E49 -303.21 9.47 -9.02 -1.2 0
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83109 49857156 1 SF2N4O9C40H46 AB2C4D9E40F46 -398.1 2.04 -8.97 -0.7 0
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83110 49857157 1 SN4O9C41H48 AB4C9D41E48 -278.13 8.26 -8.51 -0.57 0
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83111 49857158 1 O9N19C50H75 A9B19C50D75 -351.59 6.09 -8.37 -0.13 0
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83112 49857159 1 O11N16C49H70 A11B16C49D70 -454.15 9.88 -8.35 -0.17 0
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83116 49857166 1 PN2H26C32 AB2C26D32 173.56 2.37 0.0 0.0 0
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83117 49857167 1 N2O20C85H136 A2B20C85D136 -945.09 11.31 -8.54 0.39 0
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83118 49857168 1 NO10C42H67 AB10C42D67 -469.82 7.23 -9.03 -0.05 0
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83119 49857170 1 ON7C25H27 AB7C25D27 63.59 4.15 -8.36 -0.32 0
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83120 49857171 1 N4O13C81H152 A4B13C81D152 -851.45 1.88 -9.58 -0.19 0
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83121 49857174 1 O4N9H41C44 A4B9C41D44 15.62 4.76 -8.64 -0.63 0
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83122 49857175 1 O4N9H41C44 A4B9C41D44 22.28 8.53 -8.84 -0.66 0
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83123 49857176 1 O5N8C42H42 A5B8C42D42 -57.69 3.33 -8.78 -0.55 0
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83124 49857177 1 NSO13C43H53 ABC13D43E53 -488.02 5.21 -9.3 -1.09 0
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83125 49857178 1 NSO13C44H55 ABC13D44E55 -491.88 8.31 -9.35 -1.0 0
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83126 49857181 1 FN2O2C16H17 AB2C2D16E17 -93.48 1.78 -9.28 -0.43 0
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83127 49857182 2 ClNOC5H6 ABCD5E6 -91.27 4.7 -9.36 -0.35 0
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83128 49857183 1 ClN2O2C17H19 AB2C2D17E19 -61.67 2.79 -9.36 -0.17 0