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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425617 135127011 2 O8C23H37 A8B23C37 -763.11 4.18 -9.24 0.24 0
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425618 135127015 1 FNO2P2C5H10 ABC2D2E5F10 -139.64 2.4 -9.64 0.12 0
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425619 135127018 1 FNPO2C5H9 ABCD2E5F9 -134.07 4.24 -10.04 0.17 0
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425620 135127020 1 N3C8H21 A3B8C21 -10.97 3.08 -8.54 2.6 0
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425621 135127021 1 Cl2N2C13H18 A2B2C13D18 1.62 2.43 -9.57 -0.55 0
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425622 135127023 1 N6O8C29H42 A6B8C29D42 -311.0 3.13 -9.91 -0.83 0
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425623 135127024 1 NO5C22H41 AB5C22D41 -256.34 6.13 -9.54 0.88 0
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425624 135127026 1 NPO3C4H6 ABC3D4E6 -127.32 6.08 -10.32 -0.38 0
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425625 135127027 1 O2C21H22 A2B21C22 -5.78 1.52 -8.58 0.02 0
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425626 135127028 1 ClF3H12C15 AB3C12D15 -121.72 3.42 -9.5 -0.66 0
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425627 135127030 1 NO2C15H25 AB2C15D25 -93.42 2.83 -9.11 0.19 0
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425629 135127032 1 NO4C18H25 AB4C18D25 -189.48 4.16 -8.7 0.16 0
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425630 135127033 1 O6N7C26H37 A6B7C26D37 -212.72 1.5 -9.55 -0.74 0
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425631 135127034 1 NO5C13H27 AB5C13D27 -127.38 1.51 -9.12 0.19 1
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425632 135127035 1 NO5C27H38 AB5C27D38 -180.79 4.24 0.0 0.0 0
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425633 135127037 1 INO3C4H8 ABC3D4E8 -125.31 2.1 -9.59 -2.82 1
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425634 135127038 1 PO5C25H42 AB5C25D42 -251.15 16.7 0.0 0.0 0
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425635 135127046 2 N2O4C19H31 A2B4C19D31 -377.02 3.92 -8.93 -0.63 0
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425636 135127048 2 N2O3C16H30 A2B3C16D30 -330.16 6.62 -8.57 0.03 0
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425637 135127050 1 N3P3O4C13H18 A3B3C4D13E18 -167.84 8.14 -9.44 -0.38 0
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425638 135127051 1 N2O7C20H24 A2B7C20D24 -268.26 4.99 -8.8 -0.4 0
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425639 135127059 1 SO2N3C9H11 AB2C3D9E11 -20.56 3.22 -8.9 -1.16 0
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425640 135127102 1 FO4N5C14H16 AB4C5D14E16 -120.73 1.97 -9.8 -0.52 0
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425641 135127104 1 N5O6C31H59 A5B6C31D59 -340.15 3.1 -9.28 0.67 0
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425642 135127109 1 O4N5C30H57 A4B5C30D57 -254.81 9.44 -8.66 0.77 0