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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230046 87569940 1 SN2O9C19H26 AB2C9D19E26 -367.33 5.55 -11.01 -1.99 0
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230047 87569942 1 ClSN3O3C26H26 ABC3D3E26F26 -62.68 1.94 -8.78 -0.98 0
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230048 87569946 1 NO3C10H15 AB3C10D15 -127.39 2.21 -9.31 -0.5 0
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230049 87569947 1 O4C61H94 A4B61C94 -202.96 5.86 -8.38 -0.21 0
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230050 87569948 1 FO4C21H25 AB4C21D25 -179.51 5.32 -8.76 -0.14 0
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230051 87569954 1 OSiC10H22 ABC10D22 -90.7 2.39 -7.37 0.51 0
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230052 87569955 1 CoNaSO3N8H18C32 ABCD3E8F18G32 25.22 25.75 -10.66 -4.6 0
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230053 87569957 1 ClSO3N4H15C19 ABC3D4E15F19 -12.5 7.27 -9.07 -1.2 0
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230054 87569966 2 O12C35H40 A12B35C40 -472.81 5.94 -8.2 -0.14 0
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230055 87569971 1 ClNO6C28H30 ABC6D28E30 -179.32 2.37 -8.83 -0.66 0
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230056 87569974 1 BrClN2O4H20C21 ABC2D4E20F21 -18.3 3.33 -9.05 -0.61 0
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230057 87569975 1 ClO2S2N3H14C19 AB2C2D3E14F19 17.26 5.67 -9.07 -0.96 0
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230058 87569978 1 FNO6C19H26 ABC6D19E26 -254.33 5.59 -8.73 -0.42 0
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230059 87569980 1 ClNSF6O11C36H36 ABCD6E11F36G36 -714.29 7.09 -10.27 -1.53 0
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230060 87569982 1 ClSO2F3N3H13C21 ABC2D3E3F13G21 -130.56 5.88 -9.45 -1.54 0
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230061 87569984 1 ClSiF4O5N8C30H33 ABC4D5E8F30G33 -289.86 12.45 -9.07 -1.16 0
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230062 87569986 2 ClOC5H5 ABC5D5 -66.41 3.08 -8.67 -0.13 0
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230063 87569992 1 NO6C20H25 AB6C20D25 -184.69 3.71 -8.81 -0.6 0
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230065 87570005 1 OSCl2N7C26H31 ABC2D7E26F31 58.18 11.18 -9.14 -1.38 0
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230066 87570006 1 OSCl2N7C26H31 ABC2D7E26F31 58.0 11.51 -9.16 -1.38 0
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230067 87570008 1 PS2Cl3F6N6O6H14C21 AB2C3D6E6F6G14H21 -489.44 2.59 -9.43 -1.73 0
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230068 87570012 1 N4O17C53H90 A4B17C53D90 -897.82 5.92 -9.52 -0.3 0
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230069 87570013 1 O3N5H15C16 A3B5C15D16 -5.56 8.46 -8.76 -1.07 0
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230070 87570014 1 O2F6N8H18C25 A2B6C8D18E25 -180.27 7.99 -8.95 -1.3 0
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230071 87570017 1 ClSO2N3H22C24 ABC2D3E22F24 3.23 7.89 -9.01 -0.96 0
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230072 87570018 1 FSN2O4H7C9 ABC2D4E7F9 -100.63 6.21 -9.4 -1.33 0
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230073 87570019 1 BrF2N2O2H7C10 AB2C2D2E7F10 -135.9 4.95 -9.45 -2.03 0
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230074 87570023 1 NF2O4H17C19 AB2C4D17E19 -147.79 4.83 -8.67 -0.53 0
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230075 87570026 8 COH2 ABC2 -272.5 2.99 -9.88 -0.65 0
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230076 87570029 1 NO6C18H23 AB6C18D23 -188.43 5.93 -9.93 -0.81 0
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230077 87570032 2 O6C23H26 A6B23C26 -236.72 2.42 -8.84 0.21 1
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230078 87570041 1 ClNOC21H25 ABCD21E25 -6.87 7.45 0.0 0.0 0
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230079 87570053 2 ClSN2O2C12H16 ABC2D2E12F16 -142.2 1.79 -8.43 -1.21 0
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230080 87570054 1 OSC6H12 ABC6D12 -41.42 4.52 -8.86 -0.59 0
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230081 87570067 1 N2C9H18 A2B9C18 -6.97 4.1 -8.53 1.08 0
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230083 87570082 1 FS2O3N6H15C17 AB2C3D6E15F17 -56.63 4.29 -9.3 -1.45 0
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230084 87570084 1 NO6C25H31 AB6C25D31 -186.95 8.9 -8.94 -0.37 0
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230085 87570095 1 BrN2O4H7C12 AB2C4D7E12 51.01 7.3 -10.18 -1.71 0
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230086 87570098 1 O5C10H18 A5B10C18 -163.49 2.6 -9.69 -0.35 0
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230087 87570102 1 NOSiC31H49 ABCD31E49 -42.57 3.93 -8.22 0.01 0
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230088 87570105 1 ClN4H11C13 AB4C11D13 96.88 7.32 -8.85 -1.26 0
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230090 87570118 1 NO2C36H73 AB2C36D73 -262.1 2.59 -9.79 0.97 0
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230091 87570119 1 NO4C6H9 AB4C6D9 -173.09 7.16 -9.58 -0.13 0
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230092 87570130 1 ClN4H13C14 AB4C13D14 75.21 6.81 -8.8 -0.9 0
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230093 87570140 2 ClON3C4H10 ABC3D4E10 10.95 3.62 -9.34 -1.37 0
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230094 87570142 1 NaSO2C3H7 ABC2D3E7 -118.64 8.39 -8.02 0.34 0
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230095 87570150 1 ClOF3N3H13C15 ABC3D3E13F15 -137.4 1.74 -8.94 -1.48 0
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230096 87570152 1 ClSO2N3C18H20 ABC2D3E18F20 -50.9 1.48 -8.77 -0.84 0
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230097 87570153 1 ClN5H14C16 AB5C14D16 121.5 3.52 -8.85 -0.77 0
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230098 87570164 1 ClSF3N3O4H19C20 ABC3D3E4F19G20 -250.66 7.59 -9.38 -1.16 0