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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217023 85087130 1 ClO4C17H21 AB4C17D21 -151.25 6.47 -9.5 -0.62 0
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217024 85087131 1 ClO2H17C20 AB2C17D20 -25.1 2.5 -8.87 -0.5 0
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217025 85087133 1 NO4C19H19 AB4C19D19 -103.67 3.27 -9.1 -0.44 0
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217026 85087134 1 O2N5C17H21 A2B5C17D21 -2.57 5.79 -8.93 -0.53 0
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217027 85087135 1 NSO5C15H19 ABC5D15E19 -207.76 3.82 -8.91 -0.4 0
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217028 85087136 1 NSO3H15C18 ABC3D15E18 -4.95 5.49 -8.46 -1.83 0
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217029 85087137 1 NO3C20H23 AB3C20D23 -117.91 3.5 -8.19 0.12 0
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217030 85087138 1 NO3C20H23 AB3C20D23 -121.89 2.93 -9.1 -0.67 0
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217031 85087141 1 NO2C21H27 AB2C21D27 -83.52 3.82 -8.76 0.24 0
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217032 85087142 1 ClNO5C15H16 ABC5D15E16 -177.73 1.69 -9.03 -1.06 0
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217033 85087143 1 ClNO2H16C19 ABC2D16E19 -22.18 7.21 -8.64 -0.69 0
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217034 85087144 2 BrOC5H7 ABC5D7 -91.2 5.27 -10.47 -0.87 0
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217035 85087145 2 NO2H8C9 AB2C8D9 -31.21 5.37 -8.96 -0.82 0
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217036 85087147 1 SN2O3H14C17 AB2C3D14E17 -14.92 5.15 -8.84 -1.23 0
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217037 85087148 1 O6C17H26 A6B17C26 -280.76 1.5 -10.06 0.55 0
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217038 85087149 2 O2C10H11 A2B10C11 -122.55 4.44 -8.96 -0.05 0
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217039 85087150 1 O2H18C23 A2B18C23 155.42 4.71 -8.86 -1.32 0
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217040 85087151 1 FON2C20H23 ABC2D20E23 -30.44 5.23 -8.54 -0.39 0
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217041 85087154 1 O3C21H26 A3B21C26 -93.6 1.48 -9.85 -0.59 0
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217042 85087155 1 O3N4C16H30 A3B4C16D30 -144.18 1.14 -9.32 -0.52 2
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217043 85087156 2 N3C9H13 A3B9C13 72.9 1.78 -7.96 -0.36 0
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217044 85087157 1 SiO5C16H26 AB5C16D26 -241.92 3.47 -9.76 0.8 0
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217045 85087158 1 SiO2F3C15H29 AB2C3D15E29 -322.39 5.02 -9.87 -0.05 0
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217046 85087159 1 O4C19H34 A4B19C34 -240.98 1.52 -9.9 0.77 0
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217047 85087160 1 SiO4C17H30 AB4C17D30 -251.95 2.04 -8.95 0.73 1
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217048 85087161 1 ClO2N4C15H22 AB2C4D15E22 -61.9 1.13 0.0 0.0 0
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217049 85087162 1 ClSN2C18H19 ABC2D18E19 24.45 7.73 -8.45 -0.61 0
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217050 85087163 1 BrN2O3C13H15 AB2C3D13E15 -65.18 6.42 -9.88 -2.12 0
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217051 85087164 1 N3O6C14H21 A3B6C14D21 -258.63 8.95 -9.68 -0.03 0
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217052 85087165 1 N3O4C17H17 A3B4C17D17 -37.24 3.65 -8.46 -0.88 0
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217053 85087166 1 N3O4C17H17 A3B4C17D17 -119.76 4.0 -9.41 -1.18 0
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217054 85087168 1 SN3O3H13C16 AB3C3D13E16 11.82 7.91 -8.57 -1.38 0
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217055 85087169 1 NO6C16H25 AB6C16D25 -292.22 5.82 -10.12 0.15 0
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217056 85087172 3 NOC6H7 ABC6D7 -50.52 6.19 -8.63 -0.47 0
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217057 85087173 1 ON3H17C21 AB3C17D21 90.83 2.91 -8.43 -1.29 0
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217058 85087174 1 NSO2C19H21 ABC2D19E21 -31.71 4.97 -8.37 -0.67 0
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217059 85087176 1 NOSiC20H29 ABCD20E29 -53.64 2.43 -8.41 0.33 0
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217060 85087178 1 O3H16C22 A3B16C22 -42.6 5.03 -9.1 -0.9 0
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217061 85087179 1 N4O5C14H24 A4B5C14D24 -230.93 10.49 -9.61 -0.45 0
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217062 85087185 2 ON2C9H12 AB2C9D12 -48.8 4.38 -8.99 -0.62 0
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217064 85087193 1 ClPO4C15H18 ABC4D15E18 -207.87 4.4 -9.54 -0.71 -1
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217065 85087194 1 NiN2S2O3C10H11 AB2C2D3E10F11 43.02 4.55 0.0 0.0 0
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217066 85087195 1 SeO3C15H22 AB3C15D22 -136.59 1.42 -8.7 -0.58 0
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217067 85087197 1 FSN3O4C13H16 ABC3D4E13F16 -153.7 2.84 -10.07 -0.5 0
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217068 85087198 1 O3N5C16H17 A3B5C16D17 -8.62 5.17 -9.45 -1.84 0
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217069 85087199 1 NO3C20H27 AB3C20D27 -131.77 5.96 -9.47 0.09 0
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217070 85087200 1 NO3C20H27 AB3C20D27 -123.27 3.36 -9.44 0.28 0
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217071 85087201 1 NSO2C19H23 ABC2D19E23 -59.54 2.86 -9.13 -0.24 0
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217072 85087202 1 NO2C21H31 AB2C21D31 -63.11 4.13 -8.12 0.04 0
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217073 85087203 1 NSiO3C17H35 ABC3D17E35 -223.76 3.94 -8.79 1.1 0