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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141013 52801037 1 N4O4C15H18 A4B4C15D18 -85.36 5.18 -9.44 -0.36 0
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141014 52801264 1 FO3N4H21C25 AB3C4D21E25 -48.64 3.42 -8.94 -0.66 1
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141015 52802582 1 SN2O3C17H27 AB2C3D17E27 -104.57 3.71 0.0 0.0 0
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141016 52802583 1 SN2O3C17H26 AB2C3D17E26 -112.1 6.64 -8.76 -0.35 0
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141017 52802793 1 OSN3C20H27 ABC3D20E27 -8.68 3.18 -8.98 -0.08 0
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141018 52802950 1 SO2N3C21H29 AB2C3D21E29 -48.85 4.26 -8.76 0.04 0
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141019 52803119 1 NO4C21H25 AB4C21D25 -148.65 5.08 -8.66 -0.09 0
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141020 52803120 1 ClSN2O4C20H23 ABC2D4E20F23 -125.3 4.74 -9.24 -0.64 0
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141021 52803126 1 BrSN2O4C20H23 ABC2D4E20F23 -110.41 4.8 -9.4 -0.6 0
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141022 52803183 1 ClFN2O6C22H24 ABC2D6E22F24 -268.64 8.18 -8.97 -0.82 0
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141023 52803658 1 Cl2S2O3N4H14C17 A2B2C3D4E14F17 -42.44 3.14 -9.52 -1.76 0
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141024 52804826 1 FSN3O5C20H20 ABC3D5E20F20 -178.33 6.5 -8.63 -1.21 -1
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141025 52804827 1 SO3N5H20C21 AB3C5D20E21 24.37 4.29 0.0 0.0 0
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141026 52805476 1 BrON3C20H24 ABC3D20E24 17.51 6.08 -9.09 -0.15 0
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141027 52805477 1 BrON3C20H24 ABC3D20E24 18.75 5.81 -8.86 -0.21 0
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141028 52805565 1 O3N4C17H22 A3B4C17D22 19.46 5.88 -8.95 -0.64 0
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141029 52805909 1 N3O3C19H33 A3B3C19D33 -157.79 3.32 -9.1 0.34 1
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141030 52806099 1 FSN2O4C21H26 ABC2D4E21F26 -162.0 14.01 0.0 0.0 0
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141031 52806155 1 FO2S2N3C15H18 AB2C2D3E15F18 -60.6 3.26 -9.0 -1.02 1
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141032 52806614 1 OSN6C24H31 ABC6D24E31 62.71 2.15 0.0 0.0 0
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141033 52806615 1 OSN6C24H30 ABC6D24E30 43.02 5.89 -8.68 -0.52 0
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141034 52806670 1 ClN2O3C23H23 AB2C3D23E23 -59.25 6.71 -8.11 -0.32 0
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141035 52806684 1 ClO3N5H18C23 AB3C5D18E23 71.22 2.75 -8.22 -2.05 0
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141036 52807354 1 N2O5H20C21 A2B5C20D21 -153.22 4.27 -8.98 -0.73 0
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141037 52807523 1 OSN2H20C21 ABC2D20E21 37.35 4.21 -9.24 -1.02 0