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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