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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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92673 49988930 1 O5N6C39H48 A5B6C39D48 -190.56 5.67 -8.8 -0.81 0
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92674 49988939 1 ClO5N6C38H45 AB5C6D38E45 -193.66 9.95 -8.83 -0.85 0
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92675 49988943 1 O5N6C33H44 A5B6C33D44 -227.15 8.51 -8.6 -0.52 0
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92676 49988944 1 N5O5C32H43 A5B5C32D43 -205.43 6.17 -8.71 -0.4 0
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92677 49988947 1 O4N5C32H43 A4B5C32D43 -175.34 2.82 -8.7 -0.39 0
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92678 49988948 1 N5O5C32H43 A5B5C32D43 -206.78 7.1 -8.84 -0.29 0
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92679 49988950 1 O5N6C32H42 A5B6C32D42 -204.64 6.0 -9.07 -0.56 0
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92680 49988952 1 O5N6C35H48 A5B6C35D48 -225.15 11.29 -8.76 -0.71 0
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92681 49988957 1 O5N6C37H50 A5B6C37D50 -221.26 6.9 -9.03 -0.33 0
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92682 49988965 1 O5N6C34H46 A5B6C34D46 -219.48 1.16 -8.89 -0.38 0
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92683 49988982 1 FN6O6C39H47 AB6C6D39E47 -265.24 6.22 -8.29 -0.46 0
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92684 49988985 1 O4N5C33H45 A4B5C33D45 -181.86 7.46 -9.0 -0.15 0
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92685 49988992 1 O5N6C33H44 A5B6C33D44 -209.09 6.83 -8.83 -0.61 0
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92686 49988994 1 FO5N6C39H47 AB5C6D39E47 -235.11 9.87 -8.82 -0.44 0
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92687 49989025 1 F2O4N5C31H39 A2B4C5D31E39 -258.74 6.23 -9.14 -0.47 0
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92688 49989028 1 FO5N6C38H45 AB5C6D38E45 -226.57 2.63 -8.92 -0.64 0
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92689 49989034 1 FO5N6C39H47 AB5C6D39E47 -237.66 12.52 -8.84 -0.81 0
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92690 49989036 1 O5N6C34H46 A5B6C34D46 -202.86 7.56 -9.19 -0.39 0
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92691 49989040 1 O5N6C38H46 A5B6C38D46 -184.9 11.98 -8.78 -0.97 0
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92692 49989060 1 O5N6C40H50 A5B6C40D50 -205.05 8.33 -8.5 -0.33 0
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92693 49989061 1 O4N5C32H43 A4B5C32D43 -177.35 5.71 -8.7 -0.1 0
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92694 49989066 1 O5N6C35H48 A5B6C35D48 -226.53 10.55 -8.96 -0.48 0
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92695 49989070 1 O5N6C38H52 A5B6C38D52 -229.98 5.98 -8.82 -0.55 0
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92696 49989071 6 NOC6H8 ABC6D8 -249.58 11.29 -8.88 -0.48 0
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92697 49989076 1 O5N6C33H44 A5B6C33D44 -212.28 11.28 -8.79 -0.48 0
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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