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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94028 49998293 1 ClO5N6C36H49 AB5C6D36E49 -233.3 6.86 -8.71 -0.59 0
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94029 49998295 1 ClO5N6C34H45 AB5C6D34E45 -224.81 3.84 -8.52 -0.39 0
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94030 49998298 1 O4N5C33H45 A4B5C33D45 -178.88 7.47 -8.84 -0.18 0
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94031 49998299 1 O4N5C35H49 A4B5C35D49 -189.35 6.3 -8.76 -0.1 0
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94032 49998300 1 FO5N6C42H53 AB5C6D42E53 -258.94 9.53 -8.8 -0.37 0
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94033 49998301 1 O5N6C35H48 A5B6C35D48 -232.59 5.45 -8.9 -0.42 0
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94036 49998307 1 O5N6C39H54 A5B6C39D54 -231.51 11.83 -8.62 -0.41 0
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94037 49998310 3 N2O2C13H18 A2B2C13D18 -268.87 5.68 -8.95 -0.39 0
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94038 49998312 1 O5N6C36H50 A5B6C36D50 -222.63 6.72 -8.97 -0.38 0
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94039 49998324 1 F2O5N6C40H48 A2B5C6D40E48 -285.11 6.51 -8.81 -0.73 0
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94040 49998326 1 FN6O6C41H51 AB6C6D41E51 -279.67 3.07 -8.79 -0.32 0
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94041 49998328 1 FO5N6C36H49 AB5C6D36E49 -279.25 7.25 -8.66 -0.26 0
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94042 49998335 1 BrO4N5C33H44 AB4C5D33E44 -177.32 1.64 -9.15 -0.4 0
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94043 49998337 1 O5N6C35H48 A5B6C35D48 -226.39 9.96 -8.69 -0.44 0
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94044 49998340 1 ClO4N5C34H46 AB4C5D34E46 -194.93 2.14 -8.8 -0.21 0
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94045 49998341 1 ClO4N5C34H46 AB4C5D34E46 -196.57 5.57 -8.84 -0.25 0
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94046 49998342 1 ClN5O5C34H46 AB5C5D34E46 -226.45 5.78 -8.62 -0.33 0
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94047 49998348 1 O5N6C39H56 A5B6C39D56 -251.22 12.72 -8.45 -0.81 0
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94048 49998349 1 O5N6C36H50 A5B6C36D50 -224.97 7.7 -8.91 -0.37 0
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94050 49998364 1 BrO5N6C37H51 AB5C6D37E51 -237.74 12.57 -8.82 -0.41 0
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94051 49998365 1 BrO5N6C37H51 AB5C6D37E51 -232.61 11.14 -8.83 -0.39 0
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94052 49998367 1 ClO5N6C37H51 AB5C6D37E51 -240.82 11.06 -8.81 -1.0 0
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94053 49998372 2 N3O3C20H25 A3B3C20D25 -225.67 3.1 -8.35 -0.37 0
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94054 49998373 1 FO5N6C39H47 AB5C6D39E47 -230.47 2.91 -8.38 -0.66 0
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94055 49998375 1 O5N6C40H50 A5B6C40D50 -194.8 3.12 -8.69 -0.45 0
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94056 49998381 1 Cl2O4N5C33H43 A2B4C5D33E43 -194.5 9.44 -8.86 -0.28 0
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94057 49998388 1 N5O5C34H47 A5B5C34D47 -217.29 6.28 -8.66 -0.25 0
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94058 49998389 1 O4N5C35H49 A4B5C35D49 -187.44 5.7 -8.67 -0.27 0
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94059 49998391 1 O5N6C41H52 A5B6C41D52 -195.04 9.93 -8.77 -0.59 0
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94060 49998392 1 FO5N6C41H51 AB5C6D41E51 -248.77 8.34 -8.87 -0.56 0
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94061 49998394 1 O5N6C42H54 A5B6C42D54 -209.17 2.0 -8.57 -0.5 0
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94062 49998395 1 FO5N6C41H51 AB5C6D41E51 -249.42 9.85 -8.97 -0.6 0
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94063 49998397 1 FO5N6C41H51 AB5C6D41E51 -248.07 7.53 -8.87 -0.62 0
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94064 49998398 1 FO5N6C42H53 AB5C6D42E53 -258.97 7.63 -8.7 -0.55 0
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94065 49998401 1 ClO5N6C34H45 AB5C6D34E45 -224.14 9.78 -8.88 -0.28 0
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94066 49998406 1 ClO5N6C38H53 AB5C6D38E53 -251.7 7.93 -8.67 -1.07 0
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94067 49998407 1 ClO5N6C38H51 AB5C6D38E51 -237.25 6.66 -8.72 -0.95 0
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94068 49998410 1 ClN6O6C38H51 AB6C6D38E51 -263.23 3.43 -9.31 -0.64 0
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94069 49998415 2 N3O3C20H25 A3B3C20D25 -226.86 9.36 -8.37 -0.31 0
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94070 49998422 1 FO5N6C40H49 AB5C6D40E49 -241.75 8.73 -8.42 -0.41 0
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94071 49998424 1 ClO4N5C33H44 AB4C5D33E44 -187.0 6.24 -8.85 -0.34 0
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94072 49998425 1 Cl2O4N5C33H43 A2B4C5D33E43 -194.03 9.95 -9.05 -0.54 0
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94073 49998428 1 O4N5C34H47 A4B5C34D47 -186.52 7.71 -8.36 -0.34 0
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94074 49998430 1 F2O4N5C33H43 A2B4C5D33E43 -270.55 5.58 -8.92 -0.56 0
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94075 49998443 1 O5N6C40H56 A5B6C40D56 -239.02 3.55 -8.88 -0.45 0
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94076 49998444 1 O5N6C41H58 A5B6C41D58 -253.42 10.48 -8.88 -0.3 0
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94077 49998448 1 ClO5N6C35H47 AB5C6D35E47 -230.6 8.04 -8.95 -0.48 0
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94078 49998449 1 ClO5N6C38H53 AB5C6D38E53 -243.69 9.15 -8.78 -0.84 0
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94079 49998456 1 ClO5N6C37H51 AB5C6D37E51 -241.0 10.28 -8.56 -0.82 0
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94080 49998459 1 FO5N6C40H49 AB5C6D40E49 -239.8 5.02 -8.25 -0.64 0
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94081 49998460 1 O5N6C41H52 A5B6C41D52 -204.85 8.37 -8.34 -0.27 0
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94082 49998463 1 O5N6C41H52 A5B6C41D52 -199.15 7.96 -8.24 -0.51 0
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94083 49998466 1 FO5N6C40H49 AB5C6D40E49 -241.09 8.97 -8.38 -0.68 0
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94085 49998469 1 N5O5C35H49 A5B5C35D49 -227.49 6.24 -8.59 -0.2 0
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94086 49998470 1 O4N5C35H49 A4B5C35D49 -197.24 5.67 -8.55 -0.11 0
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94087 49998487 1 FO5N6C42H53 AB5C6D42E53 -249.99 11.15 -8.74 -0.95 0
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94088 49998489 1 O5N6C41H52 A5B6C41D52 -200.58 5.47 -8.84 -0.53 0
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94089 49998490 1 FO5N6C41H51 AB5C6D41E51 -242.52 9.27 -8.88 -0.43 0
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94090 49998492 1 ClO5N6C38H51 AB5C6D38E51 -231.63 7.45 -8.83 -1.04 0
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94091 49998499 1 ClO5N6C35H47 AB5C6D35E47 -233.98 5.77 -8.89 -0.68 0
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94092 49998512 1 FO5N6C39H47 AB5C6D39E47 -238.17 7.27 -8.79 -0.8 0
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94093 49998522 1 N5O5C35H49 A5B5C35D49 -219.3 5.08 -8.87 -0.21 0
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94094 49998523 1 F2O4N5C33H43 A2B4C5D33E43 -268.68 4.7 -8.94 -0.57 0
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94095 49998524 1 F2O4N5C33H43 A2B4C5D33E43 -269.07 8.66 -8.86 -0.45 0
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94096 49998526 1 O5N6C42H54 A5B6C42D54 -207.38 5.18 -8.64 -0.42 0
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94097 49998527 1 FO5N6C41H51 AB5C6D41E51 -244.56 7.3 -9.06 -0.47 0
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94098 49998531 1 ClO5N6C34H45 AB5C6D34E45 -227.1 3.84 -8.91 -0.79 0
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94099 49998536 1 ClO5N6C41H51 AB5C6D41E51 -212.3 8.08 -8.69 -1.07 0
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94100 49998538 1 FO5N6C40H49 AB5C6D40E49 -236.53 8.19 -8.4 -0.72 0
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94101 49998539 1 O5N6C41H52 A5B6C41D52 -201.77 7.51 -8.3 -0.3 0
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94102 49998540 1 O5N6C41H52 A5B6C41D52 -200.74 4.32 -8.27 -0.28 0
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94103 49998542 1 O5N6C41H52 A5B6C41D52 -199.7 9.22 -8.15 -0.26 0
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94104 49998543 1 O5N6C40H50 A5B6C40D50 -193.8 3.88 -8.31 -0.44 0
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94105 49998552 1 FO5N6C39H47 AB5C6D39E47 -234.44 6.49 -8.78 -0.52 0
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94106 49998555 2 N3O3C20H25 A3B3C20D25 -221.19 6.38 -8.56 -0.52 0