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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227094 87560166 1 SN3O4C13H17 AB3C4D13E17 -91.2 3.22 -8.82 -0.5 0
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227095 87560170 1 KSO7C20H38 ABC7D20E38 -343.0 5.52 0.0 0.0 0
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227096 87560175 1 O2N3F8C23H23 A2B3C8D23E23 -455.61 4.87 -9.21 -0.86 0
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227097 87560176 1 FN6O7C34H43 AB6C7D34E43 -248.18 9.42 -8.34 -0.33 0
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227098 87560179 1 NO2C20H39 AB2C20D39 -146.6 2.97 -8.79 0.81 0
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227099 87560180 1 SN2F4O5H12C14 AB2C4D5E12F14 -329.34 2.56 -9.99 -2.13 0
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227100 87560181 1 SO3C8H14 AB3C8D14 -133.39 3.54 -10.3 0.12 0
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227102 87560186 1 ClSO3H11C18 ABC3D11E18 -46.59 5.8 -8.48 -1.94 0
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227104 87560195 1 NCl2O3H13C14 AB2C3D13E14 -89.38 6.18 -9.57 -0.67 0
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227105 87560200 1 OC12H16 AB12C16 -14.99 1.68 -9.1 0.1 0
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227106 87560201 1 NO5C7H13 AB5C7D13 -201.82 2.8 -10.4 -0.08 1
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227107 87560202 1 ClPH25C29 ABC25D29 113.07 18.04 0.0 0.0 1
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227108 87560204 1 PH24C29 AB24C29 113.85 7.89 0.0 0.0 0
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227109 87560206 1 N3C20H45 A3B20C45 -79.03 3.35 -8.64 3.12 0
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227110 87560207 1 OC24H38 AB24C38 -32.42 1.94 -8.28 -0.39 0
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227111 87560211 1 O4C29H48 A4B29C48 -177.08 1.42 -9.42 0.39 0
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227112 87560212 1 O3C11H14 A3B11C14 -12.63 3.19 -8.95 -0.47 0
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227113 87560216 1 SnO4C26H32 AB4C26D32 -52.82 2.6 -6.15 -1.4 0
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227114 87560230 1 NF4O4H25C27 AB4C4D25E27 -320.97 5.13 -9.64 -0.93 0
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227115 87560237 1 N2O9C11H20 A2B9C11D20 -373.68 5.8 -9.71 -1.73 0
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227116 87560260 1 N2S2O4C13H14 A2B2C4D13E14 -103.34 3.22 -9.11 -1.46 0
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227117 87560261 1 ClS2O8N9C43H46 AB2C8D9E43F46 -123.67 8.66 -9.51 -1.49 -1
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227118 87560266 1 N3C4O6H10 A3B4C6D10 -71.59 5.65 0.0 0.0 0
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227119 87560267 1 ClS2O8N9C43H46 AB2C8D9E43F46 -123.7 14.2 -9.2 -1.52 0
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227120 87560268 1 ClSN4O4C21H23 ABC4D4E21F23 -81.26 7.01 -9.73 -1.24 0
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227121 87560270 1 NOC11H13 ABC11D13 -8.02 3.06 -9.38 -0.03 0
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227122 87560280 2 OSiS2C6H15 ABC2D6E15 -226.31 1.79 -8.26 -1.28 0
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227123 87560285 1 ClN4C18H19 AB4C18D19 96.18 3.64 -8.34 -0.66 0
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227124 87560295 1 AlO6C27H49 AB6C27D49 -244.94 15.43 -8.51 -3.74 0
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227126 87560298 1 ClO2N6H25C27 AB2C6D25E27 116.51 5.43 -8.81 -1.14 0
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227127 87560299 1 NO2C5H9 AB2C5D9 -67.28 4.9 -9.67 0.93 0
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227128 87560304 1 O2F3C8H13 A2B3C8D13 -277.69 4.89 -11.11 0.3 0
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227129 87560306 2 S2C3H6 A2B3C6 -12.94 2.99 -8.86 -1.19 0
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227130 87560307 1 O10C17H18 A10B17C18 -387.61 6.37 -9.18 -1.19 0
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227131 87560308 1 ClF2N4C13H17 AB2C4D13E17 -64.06 3.04 -9.22 -0.94 0
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227132 87560309 1 O2N3C19H19 A2B3C19D19 27.75 4.59 -8.91 -0.3 0
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227133 87560311 1 MgS2O6C38H62 AB2C6D38E62 -394.1 7.86 -9.77 -0.54 0
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227134 87560312 1 MgS2O6C38H62 AB2C6D38E62 -343.85 9.8 -8.92 -0.81 0
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227135 87560315 1 Cl2N2O2C9H16 A2B2C2D9E16 -100.71 5.39 -10.83 -0.32 0
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227136 87560316 1 FSN2O2C27H31 ABC2D2E27F31 -35.1 3.46 -8.81 -0.5 1
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227138 87560321 1 ClFSO2N4C22H24 ABCD2E4F22G24 -63.32 4.57 -9.17 -1.13 0
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227139 87560323 1 H2C3N4O4 A2B3C4D4 19.51 0.69 -12.29 -2.86 0
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227140 87560326 1 Cl2N2O4C21H22 A2B2C4D21E22 -69.69 5.7 -8.17 -0.39 0
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227141 87560327 1 ClFO2N4H18C21 ABC2D4E18F21 65.42 7.03 -8.52 -0.49 0
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227142 87560328 1 Cl2N2O4C21H22 A2B2C4D21E22 -68.83 4.4 -8.71 -0.59 0
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227144 87560335 1 ClBr2N2O3H17C19 AB2C2D3E17F19 -18.4 7.34 -8.88 -0.5 0
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227145 87560340 1 N3S3O4C16H17 A3B3C4D16E17 -64.57 8.07 -8.44 -1.2 0
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227146 87560344 1 N2O2F3H11C13 A2B2C3D11E13 -161.79 6.74 -9.36 -0.66 0
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227147 87560345 1 CoSO2C3H6 ABC2D3E6 -64.91 10.03 0.0 0.0 0
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227148 87560348 1 O3C37H56 A3B37C56 -139.61 1.35 -8.38 -0.5 0