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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413109 135086053 1 NO2C14H17 AB2C14D17 -33.55 3.59 -8.62 -0.3 0
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413110 135086054 1 NO2C16H21 AB2C16D21 -62.89 5.68 -9.65 0.04 0
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413111 135086055 1 N2O4C17H20 A2B4C17D20 -24.12 4.89 -9.77 -1.38 0
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413112 135086056 1 O7C23H24 A7B23C24 -126.12 3.84 -8.55 -0.49 0
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413113 135086057 1 SO3C10H10 AB3C10D10 -62.49 8.06 -9.45 -0.19 0
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413114 135086058 1 NH9C12 AB9C12 117.68 4.46 -9.59 -0.46 0
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413115 135086059 1 OSiC12H20 ABC12D20 -103.31 1.77 -8.74 0.6 0
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413116 135086060 1 BSiO3C18H25 ABC3D18E25 -212.0 1.32 -9.05 0.07 0
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413117 135086061 1 BrN2O2H13C16 AB2C2D13E16 -11.77 3.82 -9.07 -0.99 0
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413118 135086062 1 N2O3H16C18 A2B3C16D18 -55.15 2.81 -9.07 -1.13 0
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413119 135086063 1 FOH15C18 ABC15D18 -32.68 4.1 -9.62 -0.66 0
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413120 135086064 1 O4C21H22 A4B21C22 -99.14 6.81 -8.27 -0.32 0
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413121 135086065 1 OSF3H15C20 ABC3D15E20 -116.13 7.38 -8.27 -0.72 0
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413122 135086066 1 OF4H10C16 AB4C10D16 -177.36 4.0 -9.93 -1.07 0
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413123 135086067 1 OSF3H9C14 ABC3D9E14 -124.82 3.66 -9.36 -1.11 0
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413124 135086068 2 O3C9H11 A3B9C11 -208.64 0.69 -8.61 -0.04 7
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413126 135086070 1 NO2F3C12H12 AB2C3D12E12 -212.75 6.0 -9.0 -0.39 0
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413127 135086071 1 Cl2O3H14C21 A2B3C14D21 -48.19 0.93 -9.67 -0.76 0
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413128 135086072 1 FO3H17C22 AB3C17D22 -90.75 3.2 -9.61 -0.57 0
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413130 135086074 1 O4C19H24 A4B19C24 -105.52 3.56 -9.46 0.14 0
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413131 135086075 1 SN2O6C16H18 AB2C6D16E18 -48.03 2.11 -10.4 -2.1 0
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413132 135086076 1 NSO4C17H21 ABC4D17E21 -82.93 5.83 -9.73 -0.67 0
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413133 135086077 1 SN2O4C17H18 AB2C4D17E18 -24.66 4.05 -9.57 -1.95 0
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413134 135086078 1 SiF2O2C20H20 AB2C2D20E20 -138.94 2.76 -9.54 -0.22 0
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413135 135086079 1 NPO3H18C21 ABC3D18E21 -76.82 3.93 -9.22 -0.53 0
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413136 135086080 1 O10C19H24 A10B19C24 -341.01 1.76 -10.57 0.03 0
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413137 135086081 1 NO4C15H17 AB4C15D17 -129.08 1.26 -9.18 -0.81 0
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413138 135086082 1 SC18H28 AB18C28 -17.42 1.83 -8.25 0.49 0
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413139 135086083 1 NO2C17H25 AB2C17D25 -82.6 5.3 -8.83 0.11 1
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413140 135086084 1 NOH14C16 ABC14D16 26.8 3.79 0.0 0.0 0
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413141 135086085 1 OC16H22 AB16C22 -39.39 2.93 -9.75 -0.02 0
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413142 135086086 1 OC17H24 AB17C24 -42.84 2.76 -9.7 -0.11 0
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413143 135086087 1 OC17H24 AB17C24 -49.68 3.68 -9.41 0.01 0
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413144 135086088 2 OH8C9 AB8C9 -23.08 4.75 -8.84 -0.68 0
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413145 135086089 1 O2C17H24 A2B17C24 -78.22 1.84 -9.04 -0.14 0
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413146 135086090 1 Cl2O3H10C12 A2B3C10D12 -104.94 3.06 -9.65 -1.2 0
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413147 135086091 1 FO3C13H15 AB3C13D15 -162.38 2.23 -10.27 -0.94 0
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413148 135086092 1 ClO2C22H33 AB2C22D33 -124.16 1.87 -9.3 0.39 0
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413149 135086093 1 O4C29H32 A4B29C32 -42.99 5.15 -9.21 -0.37 0
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413150 135086094 1 ClSO3H13C15 ABC3D13E15 -77.77 3.03 -9.61 -0.49 0
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413151 135086095 1 ClSO3H13C15 ABC3D13E15 -78.46 5.72 -9.48 -0.55 0
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413152 135086096 1 NO4C16H21 AB4C16D21 -89.27 5.63 -9.26 0.01 0
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413153 135086098 1 O4C15H16 A4B15C16 -94.81 2.62 -9.48 -0.39 0
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413154 135086099 1 OC16H28 AB16C28 -69.62 2.96 -9.26 1.1 0
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413155 135086100 1 N2O2C15H18 A2B2C15D18 -31.4 7.89 -8.23 -0.36 0
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413156 135086101 1 NO3C17H19 AB3C17D19 -80.11 4.31 -8.59 -0.68 0
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413157 135086102 1 NOH19C20 ABC19D20 38.41 2.36 -8.16 -0.34 0
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413158 135086103 1 NOC15H17 ABC15D17 7.01 1.16 -8.07 -0.08 0
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413159 135086104 1 ON2C14H16 AB2C14D16 5.63 4.54 -8.29 -0.28 0
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413160 135086105 1 N2O5H10C17 A2B5C10D17 -103.51 5.93 -9.49 -1.89 1
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413161 135086106 1 F3N4H10C13 A3B4C10D13 -28.88 3.66 0.0 0.0 1
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413162 135086107 1 FN4H12C13 AB4C12D13 76.89 3.21 0.0 0.0 0
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413163 135086108 2 SO2C13H14 AB2C13D14 -104.66 1.84 -8.49 -0.62 0
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413164 135086109 1 S2O4C17H20 A2B4C17D20 -139.95 2.7 -8.93 -0.72 0
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413165 135086110 2 SO2C9H11 AB2C9D11 -150.92 3.38 -8.98 -0.73 0
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413166 135086111 1 S2O5C18H22 A2B5C18D22 -183.89 3.95 -8.99 -0.57 0
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413167 135086112 1 S2O3C15H16 A2B3C15D16 -83.09 4.81 -8.89 -0.48 0
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413168 135086113 1 O4C13H20 A4B13C20 -189.74 5.33 -10.34 0.35 0
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413169 135086114 2 O2C7H8 A2B7C8 -99.36 4.14 -8.37 -0.08 0
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413170 135086115 1 INOC13H14 ABCD13E14 48.39 4.54 -9.51 -1.1 0
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413171 135086116 1 BaO2C11H14 AB2C11D14 -314.34 1.8 -8.99 -1.21 0
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413172 135086117 2 OC6H10 AB6C10 -81.28 3.08 -9.92 0.22 0
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413173 135086118 1 NOC9H11 ABC9D11 -5.11 2.89 -9.33 -0.32 0
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413174 135086119 1 ON6C9H16 AB6C9D16 26.03 5.88 -9.28 -0.38 0
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413175 135086120 1 ON2S2C12H22 AB2C2D12E22 -15.98 3.79 -8.52 -0.85 0
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413176 135086121 1 N3O3C8H11 A3B3C8D11 -123.01 5.37 -10.0 -0.57 0
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413177 135086122 1 ClSC11H13 ABC11D13 16.52 1.37 -8.71 -0.27 0
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413178 135086123 1 O2C15H16 A2B15C16 -27.73 6.26 -10.0 -0.71 0
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413179 135086124 1 SiN2O3C14H26 AB2C3D14E26 -152.28 1.86 -8.91 -0.71 1
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413180 135086125 1 SiN2O3C14H27 AB2C3D14E27 -140.25 5.78 0.0 0.0 0
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413181 135086127 1 ClN2O2C14H19 AB2C2D14E19 -76.3 2.16 -9.07 -0.29 0
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413182 135086128 1 ClFN2O2C13H16 ABC2D2E13F16 -109.98 3.63 -9.03 -0.57 0
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413183 135086129 1 SN2C18H22 AB2C18D22 63.72 1.61 -8.31 -0.62 0
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413184 135086130 1 N2O4C15H26 A2B4C15D26 -165.84 3.18 -9.64 -0.11 0
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413185 135086131 1 NSO2C20H27 ABC2D20E27 -20.86 4.96 -9.84 -0.35 0