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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141713 52920619 1 NSO6C16H21 ABC6D16E21 -219.02 6.26 -9.63 -0.75 0
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141714 52921077 1 NO4C22H25 AB4C22D25 -120.31 3.61 -9.1 -0.57 0
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141715 52921292 1 N2O3H12C21 A2B3C12D21 -13.49 7.93 -8.91 -1.66 0
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141716 52921293 1 N2O3H12C21 A2B3C12D21 -10.04 8.12 -9.04 -1.59 0
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141717 52921549 1 N2O2C21H34 A2B2C21D34 -91.39 1.4 -9.16 -0.17 0
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141718 52921554 1 N3O5H21C24 A3B5C21D24 -86.6 8.57 -8.95 -0.95 0
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141719 52921555 1 N3O5H21C24 A3B5C21D24 -85.62 8.63 -9.06 -0.88 0
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141720 52921556 1 N3O4H19C23 A3B4C19D23 -52.01 6.87 -9.4 -1.2 0
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141721 52921679 1 P2N3O16C17H27 A2B3C16D17E27 -845.05 4.8 -10.22 -1.04 0
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141722 52921726 2 OC12H24 AB12C24 -208.82 2.11 -10.72 0.66 0
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141723 52921821 2 OC14H23 AB14C23 -101.11 5.01 -9.44 0.78 0
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141724 52921829 2 OC10H19 AB10C19 -151.98 4.95 -9.48 0.65 1
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141725 52922273 1 NPO8C41H81 ABC8D41E81 -527.53 5.65 0.0 0.0 0
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141727 52922303 1 NPO8C37H75 ABC8D37E75 -521.96 4.23 0.0 0.0 0
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141729 52922305 1 NPO8C37H73 ABC8D37E73 -507.86 1.57 0.0 0.0 0
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141731 52922307 1 NPO8C38H75 ABC8D38E75 -483.27 7.2 0.0 0.0 0
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141732 52922308 1 NPO8C40H78 ABC8D40E78 -532.04 14.03 -8.94 -0.2 1
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141733 52922309 1 NPO8C40H79 ABC8D40E79 -522.19 9.96 0.0 0.0 0
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141734 52922310 1 NPO8C40H76 ABC8D40E76 -502.83 15.9 -8.27 -0.3 0
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141735 52922380 1 NPO8C42H80 ABC8D42E80 -513.16 16.02 -9.66 -0.15 1
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141736 52922381 1 NPO8C42H81 ABC8D42E81 -513.38 3.65 0.0 0.0 0
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141737 52922382 1 NPO8C43H84 ABC8D43E84 -541.99 17.72 -9.33 -0.57 1
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141738 52922466 1 NPO8C44H77 ABC8D44E77 -414.88 3.76 0.0 0.0 0
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141739 52922743 1 NPO8C46H84 ABC8D46E84 -490.19 13.88 -9.41 -0.3 0
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141740 52923049 1 NPO8C49H88 ABC8D49E88 -489.24 13.01 -8.71 -0.06 1
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141741 52923120 1 NPO8C46H85 ABC8D46E85 -444.96 15.87 0.0 0.0 0
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141742 52923191 1 NPO8C48H88 ABC8D48E88 -502.66 11.44 -9.12 -0.2 1
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141743 52923192 1 NPO8C48H89 ABC8D48E89 -368.78 2.69 0.0 0.0 0
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141744 52923193 1 NPO8C48H86 ABC8D48E86 -406.38 14.45 -8.87 -0.28 1
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141745 52923194 1 NPO8C48H87 ABC8D48E87 -433.81 12.91 0.0 0.0 0
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141746 52923211 1 NPO8C41H76 ABC8D41E76 -475.21 12.88 -9.34 -0.46 1
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141747 52923394 1 NPO8C45H91 ABC8D45E91 -569.63 5.45 0.0 0.0 0
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141748 52923395 1 NPO8C45H88 ABC8D45E88 -565.41 11.13 -9.41 -0.26 1
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141750 52923397 1 NPO8C46H92 ABC8D46E92 -589.15 12.54 -9.58 0.16 1
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141752 52923399 1 NPO8C46H90 ABC8D46E90 -419.49 20.08 -8.95 -1.18 1
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141753 52923400 1 NPO8C46H91 ABC8D46E91 -543.55 8.25 0.0 0.0 0
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141754 52923471 1 NPO8C50H92 ABC8D50E92 -440.39 7.51 -8.53 0.42 1
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141755 52923472 1 NPO8C50H93 ABC8D50E93 -442.16 13.09 0.0 0.0 0
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141756 52924511 1 NPO8C43H84 ABC8D43E84 -567.57 3.69 -9.22 0.37 0
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141757 52924600 1 NPO8C47H86 ABC8D47E86 -510.01 4.49 -9.45 0.12 0
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141758 52924601 1 NPO8C47H82 ABC8D47E82 -480.47 3.86 -9.34 0.44 0
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141759 52925154 1 NPO10C44H72 ABC10D44E72 -503.91 4.19 -9.37 0.45 0
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141760 52925238 1 NPO10C40H74 ABC10D40E74 -613.24 6.5 -9.01 -0.18 0
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141761 52925599 1 NPO10C42H78 ABC10D42E78 -618.95 6.16 -9.43 -0.25 0
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141762 52925600 1 NPO10C42H76 ABC10D42E76 -595.47 4.28 -9.49 -0.2 0
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141763 52925639 1 NPO10C39H74 ABC10D39E74 -643.17 4.63 -9.54 -0.24 0
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141764 52925640 1 NPO10C40H76 ABC10D40E76 -635.84 4.33 -9.53 0.16 0
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141765 52925821 1 NPO10C46H84 ABC10D46E84 -581.57 2.12 -9.41 0.16 0
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141766 52926021 1 NPO10C39H72 ABC10D39E72 -610.47 6.41 -9.61 0.0 0
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141767 52926022 1 NPO10C38H74 ABC10D38E74 -653.72 5.09 -9.87 0.19 0
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141768 52926138 1 NPO9C43H84 ABC9D43E84 -611.57 4.56 -9.54 -0.02 0
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141769 52926173 1 NPO9C46H92 ABC9D46E92 -646.76 5.71 -9.78 0.11 0
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141770 52926174 1 NPO9C44H78 ABC9D44E78 -515.33 7.21 -9.41 -0.18 0
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141771 52926175 1 NPO9C44H88 ABC9D44E88 -651.18 2.87 -9.73 0.02 0
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141772 52926362 1 PO10C37H71 AB10C37D71 -636.02 4.46 -9.5 0.21 0
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141773 52926555 1 PO10C41H73 AB10C41D73 -531.31 3.39 -8.29 0.11 0
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141774 52926778 1 PO10C41H79 AB10C41D79 -646.35 3.43 -9.24 -0.1 0
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141775 52926779 1 PO10C42H81 AB10C42D81 -651.51 4.89 -9.53 0.02 0
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141776 52927223 1 PO10C42H77 AB10C42D77 -604.96 4.09 -9.22 0.31 0
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141777 52927224 1 PO10C42H81 AB10C42D81 -652.88 4.61 -9.43 0.11 0
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141778 52927265 1 PO9C44H81 AB9C44D81 -551.53 4.51 -9.35 0.34 0
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141779 52927285 1 PO9C45H91 AB9C45D91 -647.52 0.62 -9.7 0.23 0
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141780 52927304 1 PO9C44H81 AB9C44D81 -548.67 0.14 -9.4 0.13 0
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141781 52927305 1 PO9C45H91 AB9C45D91 -641.99 3.47 -10.06 0.26 0
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141782 52927306 1 PO9C45H89 AB9C45D89 -595.74 1.71 -8.77 0.69 0
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141784 52927324 1 PO9C41H83 AB9C41D83 -631.45 7.19 -10.42 0.16 0
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141785 52927408 1 PO9C44H85 AB9C44D85 -576.3 5.75 -9.44 0.14 0
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141786 52927502 1 PO13C40H69 AB13C40D69 -699.48 8.13 -9.21 0.0 0
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141787 52927873 1 PO13C49H85 AB13C49D85 -699.65 11.6 -9.28 -0.12 0
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141788 52927893 1 PO13C48H85 AB13C48D85 -736.63 4.45 -9.38 -0.09 0
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141789 52928178 1 PO13C43H79 AB13C43D79 -763.98 4.74 -9.46 0.2 0
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141790 52928404 1 PO13C53H79 AB13C53D79 -573.36 5.2 -9.35 -0.24 0
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141791 52928417 1 PO12C38H75 AB12C38D75 -734.7 2.53 -10.01 -0.16 0
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141793 52928419 1 PO12C39H75 AB12C39D75 -718.22 8.95 -9.74 -0.22 0
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141794 52928466 1 PO12C47H93 AB12C47D93 -777.35 1.45 -9.75 0.23 0
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141795 52928467 1 PO12C47H91 AB12C47D91 -745.07 5.09 -9.61 -0.24 0
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141796 52928468 1 PO12C47H89 AB12C47D89 -730.02 1.27 -9.46 0.21 0
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141797 52928476 1 PO12C49H93 AB12C49D93 -735.72 6.64 -9.54 0.12 0
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141798 52929026 1 PO8C38H63 AB8C38D63 -434.22 5.38 -9.44 0.43 0
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141799 52929273 1 PO8C40H77 AB8C40D77 -522.36 5.14 -9.57 -0.28 0
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141800 52929487 1 PO8C35H69 AB8C35D69 -561.27 4.35 -10.55 0.45 0
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141802 52930079 1 O17C136H254 A17B136C254 -1236.68 5.18 -10.01 -0.29 0
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141803 52930099 1 O17C136H254 A17B136C254 -1226.14 4.46 -9.72 -0.01 0
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141805 52930862 2 O8C69H128 A8B69C128 -1183.18 5.01 -9.87 -0.41 0
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141806 52931239 1 NPO18C56H110 ABC18D56E110 -1087.91 6.89 -9.99 -0.36 0
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141807 52931462 2 O5C17H29 A5B17C29 -541.31 5.13 -9.99 1.01 0
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141808 52931463 1 O15C40H68 A15B40C68 -739.9 2.51 -10.04 0.61 0
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141809 52931595 1 ClISN2C14H18 ABCD2E14F18 67.38 1.22 -9.01 -0.48 0
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141810 52931667 1 NF3O5H18C21 AB3C5D18E21 -317.56 7.25 -8.94 -1.58 0
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141811 52931857 1 O2N5C30H47 A2B5C30D47 -98.93 6.9 -9.04 -0.35 0
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141812 52931858 1 O2N5C29H43 A2B5C29D43 -78.88 2.92 -8.8 -0.31 2
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141814 52932082 1 O2N3H17C26 A2B3C17D26 166.01 6.02 -7.47 -1.6 0
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141815 52932375 1 SN2O6C22H24 AB2C6D22E24 -200.03 12.91 -9.14 -1.73 0
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141816 52932565 1 OSF2N6H24C29 ABC2D6E24F29 19.92 5.8 -8.86 -0.99 0
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141817 52932584 1 ON5C18H21 AB5C18D21 46.72 1.95 -8.57 -0.61 0
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141818 52932647 1 ON8H34C36 AB8C34D36 135.66 3.15 -8.12 -0.81 0
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141819 52932978 2 NO2C15H20 AB2C15D20 -144.72 5.28 -9.18 -0.09 0
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141820 52933560 1 ClFO2N4H14C21 ABC2D4E14F21 -2.69 0.52 -8.89 -1.18 0
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141821 52933561 1 O2N6H22C23 A2B6C22D23 29.93 1.09 -8.61 -0.8 0
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141822 52933562 1 O2F3N4H17C23 A2B3C4D17E23 -113.86 2.34 -8.88 -1.2 0