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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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110610 50332441 1 ClO5N6C35H47 AB5C6D35E47 -219.11 6.61 -8.83 -0.82 0
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110611 50332442 1 ClO5N6C36H49 AB5C6D36E49 -225.23 7.51 -8.8 -0.74 0
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110612 50332445 1 ClO5N6C35H47 AB5C6D35E47 -223.9 2.05 -8.54 -0.4 0
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110613 50332522 1 O5N6C29H38 A5B6C29D38 -186.5 11.7 -9.09 -0.79 0
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110614 50332600 1 FO5N6C42H51 AB5C6D42E51 -232.33 6.97 -8.73 -0.56 0
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110615 50332601 1 F2O5N6C42H50 A2B5C6D42E50 -277.37 10.88 -8.87 -0.49 0
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110616 50332606 1 ClO5N6C41H49 AB5C6D41E49 -190.56 6.35 -8.74 -0.7 0
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110617 50332670 1 ClO5N6C34H45 AB5C6D34E45 -222.9 9.04 -8.67 -0.82 0
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110618 50332684 1 O4N5C35H47 A4B5C35D47 -168.71 4.38 -8.9 -0.28 0
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110619 50332715 1 O4N5C34H47 A4B5C34D47 -181.95 4.98 -8.68 -0.02 0
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110620 50332755 1 O5N6C41H56 A5B6C41D56 -221.24 5.29 -8.37 -0.13 0
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110621 50332756 1 N6O6C43H54 A6B6C43D54 -219.19 6.48 -8.23 -0.28 0
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110622 50332757 1 FO5N6C42H51 AB5C6D42E51 -233.15 4.08 -8.2 -0.6 0
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110623 50332758 1 FO4N5C33H44 AB4C5D33E44 -216.17 6.14 -8.85 -0.24 0
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110624 50332759 1 SO4N7C31H45 AB4C7D31E45 -154.44 9.19 -9.0 -0.6 0
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110625 50332760 1 O4N5C35H49 A4B5C35D49 -191.17 8.05 -8.78 -0.02 0
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110626 50332761 1 N5O5C35H47 A5B5C35D47 -212.32 4.19 -8.78 -0.62 0
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110627 50332896 1 FO4N5C34H46 AB4C5D34E46 -219.47 5.23 -8.85 -0.28 0
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110628 50333262 1 FO5N6C42H51 AB5C6D42E51 -232.33 8.21 -8.71 -0.65 0
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110629 50333301 1 O5N6C35H48 A5B6C35D48 -216.65 4.31 -8.77 -0.5 0
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110630 50333302 1 N6O6C33H44 A6B6C33D44 -242.04 7.38 -8.83 -0.32 0
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110631 50333303 1 O5N6C34H46 A5B6C34D46 -218.77 6.15 -8.87 -0.23 0
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110632 50333304 1 O5N6C35H48 A5B6C35D48 -225.1 5.25 -8.84 -0.26 0
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110633 50333305 1 O5N6C36H50 A5B6C36D50 -232.92 3.39 -8.82 -0.45 0
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110634 50333306 1 O5N6C33H46 A5B6C33D46 -223.55 2.12 -8.89 -0.24 0