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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227044 87559878 1 SN3Cl4F6O8H31C35 AB3C4D6E8F31G35 -532.54 5.28 -9.78 -1.85 0
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227045 87559879 1 HfC4O4H6 AB4C4D6 -215.72 1.45 -9.04 -4.03 0
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227046 87559881 1 SN3O6C21H31 AB3C6D21E31 -219.43 7.16 -8.87 -0.45 0
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227047 87559882 1 SN3F4H7C11 AB3C4D7E11 -76.61 4.2 -8.68 -1.95 0
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227048 87559888 1 O4C11H20 A4B11C20 -208.21 3.92 -10.4 -0.04 0
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227049 87559891 1 ClN4O4C34H69 AB4C4D34E69 -290.79 3.93 -9.04 -0.59 0
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227050 87559910 1 OSC25H38 ABC25D38 -0.74 1.73 -8.95 -0.88 0
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227051 87559918 1 NSO4C6H15 ABC4D6E15 -188.19 2.68 -9.8 -0.15 0
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227052 87559919 1 NSO4C6H15 ABC4D6E15 -196.85 6.84 -10.23 -0.01 0
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227053 87559929 1 FSN3H8C10 ABC3D8E10 82.88 4.74 -8.5 -1.76 0
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227054 87559933 1 N2O5C16H16 A2B5C16D16 -49.91 6.09 -8.28 -0.44 0
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227055 87559935 1 BrClN2O2H8C14 ABC2D2E8F14 -3.55 8.22 -9.28 -1.56 0
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227056 87559940 1 S2N3O6C24H33 A2B3C6D24E33 -216.44 6.96 -9.15 -0.97 0
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227057 87559964 1 BrClNO4C13H13 ABCD4E13F13 -134.81 7.43 -10.27 -1.77 0
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227058 87559989 1 PCl2N2S2O5H13C15 AB2C2D2E5F13G15 -189.1 6.25 -9.14 -1.52 0
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227059 87559994 1 INO3C13H14 ABC3D13E14 -68.8 10.63 -9.67 -1.3 0
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227060 87559995 1 FSN3O3C28H28 ABC3D3E28F28 -35.19 10.44 -8.72 -0.99 1
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227061 87559996 1 FSN3O3C28H29 ABC3D3E28F29 -54.1 8.04 0.0 0.0 0
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227062 87559998 2 PC6H12 AB6C12 -53.83 2.21 -8.79 2.74 0
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227063 87560000 1 SiS2O3C13H30 AB2C3D13E30 -262.28 5.25 -8.59 0.74 0
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227064 87560001 1 Cl2N3O5C27H29 A2B3C5D27E29 -128.91 2.12 -8.26 -0.77 0
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227065 87560006 1 N2O3C13H16 A2B3C13D16 -46.36 2.11 -9.86 -1.48 0
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227066 87560012 1 O6C9H22 A6B9C22 -281.06 4.62 -10.01 1.23 0
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227067 87560013 1 N3C17H21 A3B17C21 43.59 1.89 -7.89 -0.16 0
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227068 87560014 1 ClLiSN2O3H4C8 ABCD2E3F4G8 -92.92 10.99 -9.99 -1.77 0