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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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113420 50444572 1 F2O4N5C33H37 A2B4C5D33E37 -228.6 4.11 -8.59 -0.74 0
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113421 50444598 1 O5N6C38H48 A5B6C38D48 -199.27 5.87 -8.84 -0.4 0
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113422 50444703 1 ClFO5N6C42H46 ABC5D6E42F46 -206.61 5.51 -8.73 -0.57 0
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113423 50445140 1 ClFO5N6C42H52 ABC5D6E42F52 -250.89 9.01 -8.9 -0.55 0
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113424 50445200 1 FO5N6C42H47 AB5C6D42E47 -203.95 5.65 -8.82 -0.57 0
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113425 50445220 1 ClO5N6C38H47 AB5C6D38E47 -204.12 7.14 -8.75 -0.52 0
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113426 50445221 1 ClO5N6C40H49 AB5C6D40E49 -199.75 7.02 -8.62 -0.5 0
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113427 50445222 1 ClO5N6C41H45 AB5C6D41E45 -167.13 6.68 -8.72 -0.42 0
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113428 50445231 1 ClF2O5N6C39H39 AB2C5D6E39F39 -236.07 5.89 -8.39 -0.51 0
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113429 50445232 1 ClF2O5N6H37C38 AB2C5D6E37F38 -231.49 3.79 -8.5 -0.91 0
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113430 50445262 1 F2N5O5C35H39 A2B5C5D35E39 -248.43 8.46 -9.16 -0.6 0
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113431 50445263 1 F2O4N5C36H41 A2B4C5D36E41 -230.51 4.85 -9.02 -0.47 0
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113432 50445264 1 F2O4N5C37H43 A2B4C5D37E43 -234.03 3.21 -9.05 -0.58 0
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113433 50445265 1 F2O4N5C38H45 A2B4C5D38E45 -238.38 6.84 -8.86 -0.54 0
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113434 50445599 1 FN6O6C44H51 AB6C6D44E51 -247.85 7.08 -8.1 -0.46 0
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113435 50445600 1 FN5O5C37H44 AB5C5D37E44 -220.64 6.46 -8.34 -0.21 0
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113436 50445601 1 FO4N5C37H44 AB4C5D37E44 -195.55 9.82 -8.35 -0.45 0
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113437 50445622 1 F3N6O6H37C38 A3B6C6D37E38 -302.12 10.32 -8.94 -0.48 0
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113438 50445651 1 F2O5N6C41H44 A2B5C6D41E44 -242.46 5.03 -8.75 -0.71 0
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113439 50445652 1 F2O5N6C41H44 A2B5C6D41E44 -239.72 4.55 -8.83 -0.61 0
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113440 50445653 1 FO5N6C42H47 AB5C6D42E47 -213.12 5.6 -8.9 -0.44 0
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113441 50445654 1 FO5N6C42H47 AB5C6D42E47 -209.53 7.13 -8.85 -0.44 0
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113442 50445655 1 F2O5N6C41H44 A2B5C6D41E44 -244.52 6.44 -8.96 -0.74 0
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113443 50445656 1 ClO5N6C38H47 AB5C6D38E47 -195.93 10.68 -8.78 -1.07 0
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113444 50445657 1 ClO5N6C38H45 AB5C6D38E45 -180.45 5.68 -8.9 -0.93 0