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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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92750 49989430 1 ClO5N6C35H47 AB5C6D35E47 -236.64 10.54 -8.89 -0.71 0
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92751 49989433 1 ClO5N6C36H49 AB5C6D36E49 -237.25 6.83 -8.86 -0.76 0
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92752 49989434 1 ClO5N6C36H47 AB5C6D36E47 -224.04 11.57 -8.96 -0.61 0
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92753 49989436 3 N2O2C13H16 A2B2C13D16 -219.96 10.35 -8.45 -0.43 0
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92756 49989440 1 O5N6C34H46 A5B6C34D46 -228.2 9.46 -8.42 -0.22 0
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92758 49989463 1 ClO5N6C38H45 AB5C6D38E45 -187.2 2.78 -9.01 -0.92 0
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92759 49989466 1 ClO5N6C34H45 AB5C6D34E45 -213.78 7.09 -9.28 -0.72 0
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92760 49989468 1 O5N6C40H50 A5B6C40D50 -197.44 9.68 -8.54 -0.44 0
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92761 49989471 1 O5N6C40H50 A5B6C40D50 -203.3 4.95 -8.14 -0.29 0
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92762 49989478 1 O5N6C36H50 A5B6C36D50 -237.4 7.87 -8.22 -0.21 0
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92763 49989488 1 FO4N5C32H42 AB4C5D32E42 -219.86 6.24 -8.82 -0.27 0
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92764 49989490 1 ClO5N6C35H47 AB5C6D35E47 -234.39 7.66 -8.92 -0.62 0
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92765 49989491 1 ClO5N6C36H49 AB5C6D36E49 -232.53 10.98 -8.77 -0.79 0
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92767 49989493 1 ClO5N6C37H49 AB5C6D37E49 -225.27 10.25 -8.81 -0.75 0
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92768 49989498 1 ClO5N6C36H49 AB5C6D36E49 -239.74 5.65 -9.1 -0.69 0
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92769 49989507 3 N2O2C13H16 A2B2C13D16 -222.68 12.25 -8.73 -0.46 0
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92770 49989508 1 FO5N6C38H45 AB5C6D38E45 -230.78 7.81 -8.79 -0.78 0
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92771 49989509 1 O5N6C39H48 A5B6C39D48 -195.46 9.3 -8.77 -0.48 0
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92772 49989510 1 O5N6C39H48 A5B6C39D48 -193.08 10.84 -8.7 -0.48 0
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92773 49989511 1 ClO5N6C38H45 AB5C6D38E45 -192.55 3.05 -8.96 -0.85 0
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92774 49989512 1 ClO5N6C38H51 AB5C6D38E51 -236.56 11.2 -8.78 -0.6 0
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92776 49989514 1 ClO5N6C38H51 AB5C6D38E51 -234.28 7.6 -8.84 -0.32 0
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92777 49989515 1 ClO5N6C40H47 AB5C6D40E47 -179.65 4.71 -8.92 -0.97 0
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92778 49989516 1 ClO5N6C41H49 AB5C6D41E49 -194.07 9.63 -8.74 -0.89 0
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92779 49989521 1 O5N6C37H50 A5B6C37D50 -219.46 6.41 -8.97 -0.58 0
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92780 49989523 1 FO5N6C42H51 AB5C6D42E51 -242.44 7.58 -8.48 -0.48 0
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92781 49989526 1 FO5N6C40H47 AB5C6D40E47 -224.59 7.05 -8.68 -0.65 0
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92782 49989529 1 ClO5N6C40H47 AB5C6D40E47 -191.61 7.0 -8.76 -0.79 0
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92783 49989549 1 O5N6C38H52 A5B6C38D52 -215.51 10.47 -8.88 -0.51 0
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92784 49989550 1 FO5N6C41H49 AB5C6D41E49 -228.3 11.69 -8.85 -0.52 0
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92785 49989557 1 O5N6C39H52 A5B6C39D52 -215.46 4.35 -8.91 -0.53 0
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92786 49989558 1 O5N6C40H54 A5B6C40D54 -220.34 2.12 -8.92 -0.31 0
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92787 49989567 1 N6O6C41H50 A6B6C41D50 -223.49 8.75 -8.66 -0.44 0
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92788 49989574 1 O5N6C38H52 A5B6C38D52 -224.5 6.48 -8.59 -0.23 0
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92789 49989575 1 FO5N6C41H49 AB5C6D41E49 -239.96 10.96 -8.78 -0.34 0
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92790 49989577 1 FN6O6C41H49 AB6C6D41E49 -258.51 4.81 -8.17 -0.54 0
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92791 49989593 1 FO5N6C40H47 AB5C6D40E47 -230.13 10.65 -8.96 -0.7 0
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92792 49989595 1 FO5N6C40H47 AB5C6D40E47 -223.49 6.38 -9.0 -0.35 0
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92793 49989596 1 FO5N6C41H49 AB5C6D41E49 -237.43 3.89 -8.81 -0.51 0
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92794 49989600 1 F2O5N6C40H46 A2B5C6D40E46 -269.56 9.37 -8.75 -0.98 0
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92795 49989603 1 FO5N6C41H49 AB5C6D41E49 -239.89 9.48 -8.68 -0.53 0
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92796 49989604 1 F2O5N6C40H46 A2B5C6D40E46 -269.94 7.78 -8.8 -0.95 0
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92797 49989608 1 O5N6C41H50 A5B6C41D50 -186.94 12.03 -8.74 -0.78 0
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92798 49989610 1 F2O5N6C40H46 A2B5C6D40E46 -274.85 10.81 -8.75 -0.68 0
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92799 49989612 2 N3O3C21H26 A3B3C21D26 -233.26 6.32 -8.16 -0.24 0
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92800 49989613 2 N3O3C21H26 A3B3C21D26 -227.16 5.44 -8.4 -0.15 0
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92801 49989621 1 N6O6C41H56 A6B6C41D56 -264.72 0.72 -8.08 -0.3 0
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92802 49989626 1 FO5N6C42H53 AB5C6D42E53 -255.98 7.51 -8.63 -0.3 0
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92803 49989638 1 O5N6C40H54 A5B6C40D54 -223.01 12.07 -8.83 -0.27 0
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92804 49989659 2 N3O3C21H26 A3B3C21D26 -230.62 4.34 -8.46 -0.33 0
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92805 49989663 2 N3O3C19H26 A3B3C19D26 -254.57 10.7 -8.41 0.0 0
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92806 49989665 6 NOC6H8 ABC6D8 -256.03 9.89 -8.2 -0.06 0
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92807 49989672 1 FO5N6C37H51 AB5C6D37E51 -285.57 9.81 -8.74 -0.28 0
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92809 49989683 1 FO5N6C41H49 AB5C6D41E49 -235.4 14.6 -8.68 -0.84 0
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92810 49989684 1 F2O5N6C40H46 A2B5C6D40E46 -266.65 9.48 -8.95 -0.92 0
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92811 49989685 1 O5N6C40H48 A5B6C40D48 -182.6 3.4 -8.76 -0.56 0
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92812 49989686 1 FO5N6C40H47 AB5C6D40E47 -226.47 5.3 -8.9 -0.64 0
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92813 49989701 2 N3O3C21H26 A3B3C21D26 -226.13 10.9 -8.51 -0.44 0
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92814 49989707 1 O5N6C41H50 A5B6C41D50 -185.31 12.67 -8.72 -0.4 0
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92815 49989709 1 FO5N6C41H49 AB5C6D41E49 -232.3 3.92 -8.64 -0.62 0
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92816 49989714 1 FO5N6C41H51 AB5C6D41E51 -250.64 5.76 -8.73 -0.28 0
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92817 49989716 1 FO5N6C40H49 AB5C6D40E49 -243.13 7.47 -8.7 -0.56 0
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92818 49989722 1 FO5N6C40H47 AB5C6D40E47 -230.05 10.56 -8.91 -0.69 0
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92819 49989723 1 F2O5N6C40H46 A2B5C6D40E46 -270.26 9.99 -8.96 -0.86 0
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92821 49989725 1 FO5N6C41H49 AB5C6D41E49 -240.03 13.33 -8.68 -0.55 0
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92822 49989729 1 O5N6C41H56 A5B6C41D56 -229.15 7.89 -8.81 -0.63 0
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92823 49989743 3 N2O2C13H18 A2B2C13D18 -271.47 7.02 -8.34 -0.39 0
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92824 49989744 2 N3O3C21H26 A3B3C21D26 -230.02 8.83 -8.26 -0.56 0
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92825 49989747 1 O5N6C37H50 A5B6C37D50 -220.19 9.75 -8.65 -0.3 0
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92826 49989748 1 ClO5N6C41H49 AB5C6D41E49 -194.78 3.72 -8.83 -0.58 0
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92827 49989749 1 O5N6C36H48 A5B6C36D48 -218.48 12.35 -8.62 -0.05 0
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92828 49989750 1 O5N6C39H54 A5B6C39D54 -233.4 10.44 -8.44 -0.26 0
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92831 49989767 1 O5N6C41H56 A5B6C41D56 -237.46 10.64 -8.94 -0.22 0
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92832 49989794 1 FN6O6C41H49 AB6C6D41E49 -266.81 10.68 -8.72 -0.47 0
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92833 49989803 1 ClO5N6C41H51 AB5C6D41E51 -215.25 7.49 -8.8 -0.64 0