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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94670 50003090 1 ClO5N6C37H49 AB5C6D37E49 -221.85 8.28 -9.0 -0.51 0
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94671 50003093 1 FO5N6C36H51 AB5C6D36E51 -287.46 10.88 -8.65 -0.24 0
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94672 50003097 1 ClO5N6C39H49 AB5C6D39E49 -207.9 7.53 -8.71 -0.87 0
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94673 50003098 1 ClO5N6C39H49 AB5C6D39E49 -202.59 6.03 -8.66 -0.47 0
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94674 50003116 1 O5N6C38H54 A5B6C38D54 -242.75 5.22 -8.85 -0.53 0
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94675 50003128 1 F2O5N6C39H48 A2B5C6D39E48 -280.59 10.45 -8.75 -1.2 0
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94676 50003182 1 FO4N5C32H42 AB4C5D32E42 -223.77 9.08 -8.73 -0.11 0
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94677 50003200 1 O5N6C35H50 A5B6C35D50 -221.87 7.97 -8.92 -0.41 0
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94678 50003221 1 O5N6C37H50 A5B6C37D50 -222.41 3.52 -8.85 -0.21 0
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94679 50003246 1 ClO5N6C38H53 AB5C6D38E53 -223.75 9.42 -8.82 -0.87 0
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94680 50003249 1 ClO5N6C36H49 AB5C6D36E49 -234.81 3.79 -8.94 -0.6 0
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94681 50003269 1 F2O5N6C39H48 A2B5C6D39E48 -286.91 4.53 -8.92 -0.46 0
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94682 50003281 1 ClO5N6C38H47 AB5C6D38E47 -199.23 8.97 -8.86 -1.18 0
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94683 50003282 1 ClO5N6C39H49 AB5C6D39E49 -209.18 8.92 -9.01 -1.04 0
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94684 50003286 1 O5N6C39H50 A5B6C39D50 -199.2 4.79 -8.35 -0.38 0
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94685 50003288 1 O5N6C39H50 A5B6C39D50 -196.9 5.39 -8.85 -0.53 0
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94686 50003289 1 BrO4N5C31H40 AB4C5D31E40 -163.11 6.29 -8.86 -0.28 0
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94687 50003299 1 O5N6C37H50 A5B6C37D50 -215.85 2.79 -8.96 -0.44 0
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94688 50003300 1 O5N6C38H52 A5B6C38D52 -221.64 5.88 -8.95 -0.27 0
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94689 50003301 6 NOC6H8 ABC6D8 -246.51 4.7 -9.04 -0.38 0
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94690 50003302 1 O5N6C37H50 A5B6C37D50 -220.31 8.01 -8.96 -0.54 0
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94691 50003308 1 FO5N6C40H51 AB5C6D40E51 -252.15 5.63 -8.9 -0.62 0
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94692 50003325 1 ClO5N6C38H47 AB5C6D38E47 -200.68 9.79 -8.43 -0.71 0
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94693 50003328 1 ClO4N5C31H40 AB4C5D31E40 -170.59 10.72 -8.79 -0.29 0
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94694 50003342 1 ClN6O6C36H49 AB6C6D36E49 -259.88 5.67 -9.11 -0.6 0
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94695 50003347 1 ClO5N6C36H51 AB5C6D36E51 -239.29 3.3 -8.96 -0.63 0
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94696 50003348 1 ClO5N6C38H47 AB5C6D38E47 -198.83 8.8 -8.82 -0.83 0
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94697 50003349 1 ClO5N6C39H49 AB5C6D39E49 -206.79 12.07 -8.64 -0.69 0
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94698 50003350 1 ClO5N6C32H43 AB5C6D32E43 -226.86 7.88 -8.89 -0.76 0
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94699 50003360 1 FO5N6C39H49 AB5C6D39E49 -242.82 3.24 -8.64 -0.62 0
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94700 50003361 1 FO5N6C39H49 AB5C6D39E49 -242.54 5.64 -8.34 -0.61 0
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94701 50003363 1 O4N5C32H43 A4B5C32D43 -169.71 12.44 -8.72 -0.08 0
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94703 50003366 1 N5O5C32H43 A5B5C32D43 -199.97 7.71 -8.06 -0.29 0
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94704 50003370 1 FO4N5C32H44 AB4C5D32E44 -234.66 6.09 -8.83 -0.31 0
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94705 50003371 1 FO4N5C32H44 AB4C5D32E44 -232.26 8.25 -8.77 -0.28 0
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94706 50003374 1 ClO5N6C35H49 AB5C6D35E49 -242.21 10.9 -8.86 -0.55 0
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94707 50003375 1 ClO5N6C38H53 AB5C6D38E53 -241.48 7.0 -8.94 -0.5 0
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94708 50003389 1 ClO5N6C39H49 AB5C6D39E49 -209.03 9.41 -8.32 -0.57 0
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94709 50003390 1 O5N6C34H48 A5B6C34D48 -230.43 5.16 -8.3 -0.44 0
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94710 50003392 1 FO5N6C40H51 AB5C6D40E51 -253.45 10.22 -8.58 -0.15 0
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94711 50003411 1 O5N6C37H52 A5B6C37D52 -232.59 4.04 -8.95 -0.36 0
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94712 50003431 1 FO5N6C38H47 AB5C6D38E47 -239.97 9.56 -8.85 -0.89 0
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94713 50003434 1 ClO5N6C38H47 AB5C6D38E47 -202.91 11.82 -8.49 -0.67 0
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94714 50003435 1 O5N6C35H50 A5B6C35D50 -238.86 6.3 -8.52 -0.38 0
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94715 50003443 1 O5N6C33H46 A5B6C33D46 -218.29 7.2 -8.87 -0.3 0
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94716 50003446 1 F2O5N6C38H46 A2B5C6D38E46 -279.33 6.68 -8.91 -0.84 0
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94717 50003447 1 F2O5N6C38H46 A2B5C6D38E46 -279.59 3.62 -9.01 -0.48 0
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94718 50003449 1 FO5N6C39H49 AB5C6D39E49 -247.33 9.9 -8.71 -0.44 0
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94719 50003451 1 O5N6C38H48 A5B6C38D48 -192.98 11.16 -8.78 -0.39 0
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94720 50003461 1 F2O5N6C38H46 A2B5C6D38E46 -281.71 5.02 -9.03 -0.98 0
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94721 50003462 1 F2O5N6C38H46 A2B5C6D38E46 -275.59 8.72 -8.92 -1.07 0
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94722 50003463 1 O5N6C34H48 A5B6C34D48 -228.75 7.86 -8.84 -0.19 0
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94723 50003464 1 ClO5N6C38H47 AB5C6D38E47 -201.56 9.1 -8.8 -0.88 0
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94724 50003466 1 O5N6C36H52 A5B6C36D52 -244.78 5.6 -8.81 -0.08 0
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94725 50003468 1 O5N6C38H54 A5B6C38D54 -240.9 4.63 -8.62 -0.28 0
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94726 50003472 2 N3O3C20H26 A3B3C20D26 -240.71 4.76 -8.05 -0.2 0
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94727 50003475 1 N5O5C33H45 A5B5C33D45 -208.63 11.44 -8.51 -0.12 0
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94728 50003476 1 O4N5C33H45 A4B5C33D45 -178.51 3.43 -8.56 -0.17 0
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94729 50003477 1 BrO4N5C33H44 AB4C5D33E44 -178.64 7.85 -8.81 -0.22 0
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94730 50003478 1 N5O6C33H45 A5B6C33D45 -239.36 11.52 -8.45 -0.1 0
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94731 50003481 1 O5N6C39H50 A5B6C39D50 -199.51 11.08 -8.7 -0.45 0
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94732 50003482 1 FO5N6C38H47 AB5C6D38E47 -241.84 13.3 -8.86 -0.59 0
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94733 50003487 1 O5N6C34H48 A5B6C34D48 -215.7 9.42 -9.01 -0.34 0
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94734 50003492 1 FO5N6C39H49 AB5C6D39E49 -249.68 10.36 -8.75 -0.68 0
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94735 50003495 1 FO5N6C38H47 AB5C6D38E47 -235.26 7.46 -8.86 -0.88 0
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94736 50003498 1 FO5N6C38H47 AB5C6D38E47 -237.2 4.75 -8.97 -0.9 0
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94737 50003499 1 F2O5N6C38H46 A2B5C6D38E46 -288.11 7.58 -8.7 -0.69 0
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94738 50003500 1 FO5N6C38H47 AB5C6D38E47 -239.88 3.24 -8.88 -0.64 0
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94739 50003506 2 N3O3C17H24 A3B3C17D24 -265.82 7.96 -8.24 -0.19 0
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94741 50003510 2 N3O3C20H26 A3B3C20D26 -244.57 6.52 -8.27 -0.39 0
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94742 50003541 1 ClO5N6C37H51 AB5C6D37E51 -245.51 12.27 -8.88 -0.65 0
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94743 50003562 1 FO5N6C39H49 AB5C6D39E49 -248.48 11.58 -9.02 -0.49 0
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94744 50003570 1 ClO5N6C38H53 AB5C6D38E53 -250.63 6.11 -9.25 -0.61 0
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94745 50003572 1 ClO5N6C33H45 AB5C6D33E45 -230.13 10.75 -8.91 -0.47 0
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94746 50003575 1 ClO5N6C39H49 AB5C6D39E49 -206.73 10.51 -8.66 -0.84 0