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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
92698 49989077 1 O5N6C36H50 A5B6C36D50 -226.79 12.13 -8.81 -0.46 0
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92699 49989081 1 ClO5N6C36H49 AB5C6D36E49 -239.2 9.29 -8.92 -0.68 0
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92700 49989083 1 ClO5N6C37H49 AB5C6D37E49 -231.87 8.63 -8.99 -0.59 0
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92701 49989087 1 ClO5N6C38H51 AB5C6D38E51 -240.12 6.46 -9.12 -0.62 0
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92702 49989117 1 ClO5N6C36H49 AB5C6D36E49 -224.6 12.11 -8.91 -0.73 0
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92703 49989123 3 N2O2C13H18 A2B2C13D18 -265.78 12.0 -8.84 -0.31 0
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92704 49989125 1 N6O6C37H52 A6B6C37D52 -265.13 5.17 -8.82 -0.58 0
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92705 49989142 1 N5O6C33H45 A5B6C33D45 -247.7 5.74 -8.28 -0.2 0
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92706 49989146 1 FO5N6C39H47 AB5C6D39E47 -238.6 9.24 -8.71 -1.12 0
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92707 49989147 1 O5N6C33H44 A5B6C33D44 -219.55 12.06 -8.61 -0.52 0
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92708 49989150 1 O5N6C39H54 A5B6C39D54 -237.17 8.2 -8.79 -0.29 0
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92709 49989188 1 O5N6C37H52 A5B6C37D52 -243.12 9.08 -8.89 -0.22 0
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92710 49989202 1 O5N6C37H52 A5B6C37D52 -235.45 4.92 -9.08 -0.46 0
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92711 49989204 1 O5N6C38H52 A5B6C38D52 -229.22 6.63 -8.86 -0.27 0
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92712 49989205 1 O5N6C39H54 A5B6C39D54 -237.11 7.87 -8.92 -0.4 0
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92713 49989206 1 FO5N6C39H47 AB5C6D39E47 -235.71 3.63 -8.94 -0.49 0
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92714 49989211 1 FN6O6C39H47 AB6C6D39E47 -265.76 11.72 -8.86 -0.84 0
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92716 49989216 1 F2O5N6C39H46 A2B5C6D39E46 -278.87 9.84 -8.89 -0.56 0
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92717 49989220 1 F2O4N5C31H39 A2B4C5D31E39 -258.64 7.47 -8.74 -0.78 0
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92718 49989227 1 O5N6C40H50 A5B6C40D50 -201.27 3.51 -8.53 -0.41 0
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92719 49989232 1 O5N6C33H44 A5B6C33D44 -215.25 6.83 -9.0 -0.53 0
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92720 49989237 1 O5N6C37H52 A5B6C37D52 -235.54 4.59 -8.95 -0.36 0
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92721 49989249 1 ClO5N6C35H47 AB5C6D35E47 -238.88 8.54 -8.82 -0.49 0
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92722 49989251 1 ClO5N6C33H43 AB5C6D33E43 -223.64 4.2 -8.69 -0.58 0
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92723 49989252 1 ClO5N6C36H49 AB5C6D36E49 -245.84 2.36 -8.68 -0.28 0
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92725 49989258 1 N5O6C33H45 A5B6C33D45 -242.79 3.13 -8.53 -0.39 0
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92726 49989262 1 O5N6C39H54 A5B6C39D54 -231.46 5.55 -9.21 -0.29 0
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92727 49989266 1 O5N6C38H52 A5B6C38D52 -229.32 8.87 -8.88 -0.37 0
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92728 49989270 1 O5N6C39H54 A5B6C39D54 -237.15 8.56 -8.95 -0.55 0
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92729 49989271 1 O5N6C40H56 A5B6C40D56 -244.44 4.41 -8.98 -0.54 0
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92730 49989273 1 F2O5N6C39H46 A2B5C6D39E46 -283.14 4.49 -9.0 -0.57 0
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92731 49989276 1 FO5N6C40H49 AB5C6D40E49 -245.18 6.12 -8.67 -0.6 0
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92732 49989285 1 ClO5N6C38H45 AB5C6D38E45 -194.01 11.45 -8.76 -0.6 0
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92733 49989288 1 ClO5N6C33H43 AB5C6D33E43 -227.4 12.54 -8.79 -0.47 0
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92734 49989289 1 ClO5N6C36H49 AB5C6D36E49 -245.75 7.13 -8.78 -0.34 0
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92735 49989300 1 O5N6C34H46 A5B6C34D46 -215.11 9.68 -8.93 -0.44 0
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92736 49989302 1 FO5N6C40H49 AB5C6D40E49 -243.59 8.9 -8.98 -0.48 0
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92737 49989342 1 O5N6C39H54 A5B6C39D54 -238.54 7.32 -8.88 -0.17 0
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92738 49989346 1 ClO5N6C37H49 AB5C6D37E49 -235.44 8.57 -8.83 -1.02 0
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92739 49989362 1 SO4N7C28H39 AB4C7D28E39 -148.86 11.24 -8.82 -0.75 0
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92740 49989363 1 SO4N7C30H43 AB4C7D30E43 -156.09 10.92 -8.73 -0.83 0
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92741 49989372 1 N6O6C37H50 A6B6C37D50 -256.37 6.06 -9.04 -0.41 0
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92742 49989373 1 O5N6C38H52 A5B6C38D52 -231.74 8.02 -8.76 -0.42 0
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92743 49989384 1 ClO5N6C38H51 AB5C6D38E51 -240.94 11.72 -8.75 -0.86 0
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92744 49989398 1 F2O5N6C39H46 A2B5C6D39E46 -282.07 7.38 -8.78 -0.79 0
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92745 49989400 1 FO5N6C39H47 AB5C6D39E47 -241.63 9.11 -8.77 -0.64 0
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92746 49989413 1 FO5N6C38H45 AB5C6D38E45 -231.83 6.99 -8.53 -0.71 0
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92747 49989414 1 FO5N6C38H45 AB5C6D38E45 -228.82 9.8 -8.69 -0.93 0
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92748 49989419 1 ClN5O5C32H42 AB5C5D32E42 -217.64 12.63 -8.75 -0.54 0
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92749 49989426 1 FO5N6C39H47 AB5C6D39E47 -230.41 6.85 -8.97 -0.63 0
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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