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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221143 85256992 1 NO3C17H19 AB3C17D19 -76.25 7.5 -9.88 -0.66 0
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221144 85256993 1 NO3C17H19 AB3C17D19 5.06 2.9 -9.19 -0.33 0
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221145 85256996 1 NO2C18H23 AB2C18D23 -46.94 5.61 -9.2 0.48 0
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221146 85257009 1 FSH5N6C12 ABC5D6E12 174.41 1.76 -9.92 -3.52 0
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221147 85257013 1 N2O5C13H22 A2B5C13D22 -221.61 2.49 -9.84 0.29 0
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221148 85257024 1 O2C19H26 A2B19C26 -69.08 1.91 -9.2 0.32 0
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221149 85257033 1 SCl2O3N4C6H8 AB2C3D4E6F8 -64.96 3.91 -9.8 -1.45 0
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221150 85257037 1 NO2F3C14H16 AB2C3D14E16 -221.01 1.52 -9.38 -0.54 0
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221151 85257046 1 NO2C18H25 AB2C18D25 -66.64 3.44 -9.35 0.18 0
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221152 85257047 1 NO2C18H25 AB2C18D25 -90.28 2.61 -9.14 0.04 0
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221153 85257052 1 Cl2N3O3H5C10 A2B3C3D5E10 -29.32 4.32 -9.74 -3.13 0
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221154 85257059 2 O3C7H12 A3B7C12 -281.8 0.72 -10.1 0.68 0
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221155 85257062 1 O4C17H20 A4B17C20 -144.71 1.74 -10.12 -0.74 0
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221156 85257064 1 N2O3C16H20 A2B3C16D20 -82.2 3.4 -9.47 0.11 0
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221157 85257065 1 O2N4C15H20 A2B4C15D20 -5.05 8.25 -9.73 -1.35 0
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221158 85257067 1 SN2O2C15H20 AB2C2D15E20 -11.46 6.35 -9.2 -0.31 0
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221159 85257071 3 OC6H8 AB6C8 -123.09 2.8 -9.2 0.33 0
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221160 85257082 1 ClO2C17H17 AB2C17D17 -32.52 3.61 -8.47 -0.32 0
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221161 85257083 1 ClON2C16H17 ABC2D16E17 11.67 2.5 -8.5 -0.96 1
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221162 85257084 1 ON2C16H17 AB2C16D17 34.87 4.0 0.0 0.0 0
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221163 85257095 1 SO2N3C14H15 AB2C3D14E15 -18.03 8.31 -9.29 -1.68 0
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221164 85257100 1 NOSC17H23 ABCD17E23 -37.97 2.54 -8.83 0.19 0
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221165 85257104 1 N2O5C14H14 A2B5C14D14 -157.58 2.49 -9.66 -0.71 0
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221166 85257106 2 NOH7C9 ABC7D9 7.83 2.42 -8.82 -1.69 0
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221167 85257107 2 NOH7C9 ABC7D9 18.17 5.08 -9.26 -1.15 0
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221168 85257113 1 ON2H18C19 AB2C18D19 56.66 3.56 -9.28 -0.64 0
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221169 85257120 1 SiO3C16H22 AB3C16D22 -148.03 3.42 -9.5 0.06 0
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221170 85257121 1 OC20H34 AB20C34 -64.61 2.01 -8.9 0.92 0
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221171 85257122 1 ClO4H11C15 AB4C11D15 -128.08 2.76 -9.49 -1.07 0
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221174 85257134 1 NO3C17H25 AB3C17D25 -19.61 2.72 -8.85 0.49 0
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221175 85257135 1 NO3C17H25 AB3C17D25 -133.46 7.06 -9.23 -0.65 0
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221177 85257140 1 ClNO3C14H26 ABC3D14E26 -203.41 2.8 -9.65 0.71 0
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221178 85257141 1 ClNOC17H22 ABCD17E22 -37.29 4.17 -9.66 -0.56 0
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221179 85257143 1 IO2C10H13 AB2C10D13 -52.73 2.66 -8.83 -0.72 0
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221180 85257149 1 O5C16H20 A5B16C20 -181.93 8.81 -9.45 -0.46 0
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221181 85257160 1 ClIOH6C9 ABCD6E9 7.68 5.21 -9.84 -1.39 0
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221182 85257165 1 NO6C14H15 AB6C14D15 -55.36 3.84 -10.21 -0.92 0
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221183 85257168 1 N3O4C14H19 A3B4C14D19 -138.03 2.47 -9.44 -0.33 0
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221184 85257169 1 O2N3H15C17 A2B3C15D17 47.29 4.36 -9.28 -0.81 0
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221186 85257180 1 O3Cl4C8H8 A3B4C8D8 -143.3 1.57 -10.52 -0.77 1
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221187 85257183 1 NC15H20 AB15C20 10.13 2.34 0.0 0.0 0
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221188 85257188 1 N2O5C14H18 A2B5C14D18 -191.42 9.05 -9.77 -0.87 0
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221189 85257189 1 N2O3H14C17 A2B3C14D17 -29.23 1.36 -8.91 -1.01 0
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221190 85257191 1 F3O3C14H21 A3B3C14D21 -301.18 3.29 -9.98 0.2 0
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221191 85257193 1 ON6H14C15 AB6C14D15 100.88 4.36 -9.14 -1.01 0
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221192 85257198 1 O4C17H26 A4B17C26 -198.16 2.77 -9.45 0.05 0
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221193 85257201 1 H18C23 A18B23 95.31 1.59 -8.22 -0.73 0
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221194 85257205 2 NC10H13 AB10C13 37.23 1.87 -8.21 0.26 0
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221195 85257207 1 OSiC19H22 ABC19D22 23.12 3.0 -9.28 -0.5 0
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221196 85257208 1 SiO2C17H30 AB2C17D30 -104.1 2.11 -8.78 0.72 0