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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180301 76611967 1 NO8C36H43 AB8C36D43 -302.83 7.34 -8.92 -0.69 0
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180302 76612263 1 O2C7H10 A2B7C10 -75.67 4.89 -10.66 0.63 0
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180303 76612264 1 ClFN3O5H25C30 ABC3D5E25F30 -151.85 7.4 -9.03 -1.0 0
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180304 76612265 1 NO2C7H9 AB2C7D9 -74.28 3.28 -10.73 -0.31 0
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180305 76612671 1 SiO3C19H38 AB3C19D38 -234.23 4.23 -9.06 0.59 0
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180306 76612672 1 SO3C14H18 AB3C14D18 -91.55 5.9 -8.92 -0.25 0
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180307 76612845 1 BN2O4C23H31 AB2C4D23E31 -145.92 5.89 -8.77 0.05 0
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180308 76613073 1 BrO3N8C22H31 AB3C8D22E31 -96.14 2.9 -8.57 -0.39 0
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180309 76613096 1 SO3N5C21H27 AB3C5D21E27 -58.28 3.74 -9.35 -0.64 -1
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180310 76613304 1 BrClN2O3C20H21 ABC2D3E20F21 -60.16 4.96 0.0 0.0 0
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180311 76613503 2 NO2C11H13 AB2C11D13 -106.48 4.22 -8.95 -0.5 0
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180312 76613701 1 SN4O5C29H32 AB4C5D29E32 -129.32 3.54 -8.74 -0.91 0
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180313 76613938 1 SK2N2O6H10C13 AB2C2D6E10F13 -209.21 15.5 -8.5 -0.5 0
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180314 76614176 1 NO3C11H15 AB3C11D15 -113.52 4.74 -9.23 -0.29 0
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180315 76614177 1 SN2O3C12H18 AB2C3D12E18 -101.96 3.63 -8.46 -0.48 0
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180316 76614412 1 NO2C15H23 AB2C15D23 -90.17 3.12 -8.75 0.44 0
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180317 76615073 1 BrO2S2N6H15C18 AB2C2D6E15F18 104.52 5.03 -8.76 -1.63 0
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180318 76615074 1 KCl2N3S3O4H16C19 AB2C3D3E4F16G19 -89.87 8.26 -6.68 -0.73 0
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180319 76615448 1 BN6O6C29H45 AB6C6D29E45 -243.22 1.91 -9.33 -1.07 0
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180320 76615626 1 BN6O7C31H47 AB6C7D31E47 -261.89 4.47 -9.16 -1.02 0
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180321 76615872 1 O2N5C28H31 A2B5C28D31 -4.67 3.94 -8.38 -0.31 0
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180322 76615873 2 FON2C14H18 ABC2D14E18 -124.48 5.55 -8.82 -0.27 0
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180323 76615889 1 O2N3C26H33 A2B3C26D33 -56.14 5.87 -8.54 -0.05 -1
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180324 76616751 1 NO2C8H14 AB2C8D14 -80.16 3.11 0.0 0.0 0
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180325 76616870 1 ClF3O6N7C34H41 AB3C6D7E34F41 -373.17 5.31 -8.95 -0.86 0
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180326 76616871 1 ClF3O7N8C43H56 AB3C7D8E43F56 -402.08 8.57 -8.61 -1.31 0
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180327 76616872 1 ClF3O7N8C44H56 AB3C7D8E44F56 -424.01 9.55 -8.96 -1.35 0
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180328 76616873 1 ClF3O7N8C41H54 AB3C7D8E41F54 -430.16 4.38 -8.76 -0.56 0
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180329 76616874 1 ClF3O7N8C44H60 AB3C7D8E44F60 -441.23 9.52 -8.73 -0.55 0
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180330 76616875 1 ClF3O6N7C40H53 AB3C6D7E40F53 -411.28 3.23 -8.82 -0.78 0
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180331 76616876 1 ClF3N6O7C37H46 AB3C6D7E37F46 -449.19 6.98 -8.65 -0.5 0
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180332 76616877 1 ClF3O6N7C41H55 AB3C6D7E41F55 -417.98 9.22 -8.63 -0.82 0
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180333 76616878 1 ClF3O6N8C43H58 AB3C6D8E43F58 -407.71 2.1 -8.73 -0.64 0
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180334 76617130 1 OF3N3H12C17 AB3C3D12E17 -109.32 5.13 -8.36 -1.57 0
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180335 76617131 1 F3N3O3C28H28 A3B3C3D28E28 -227.41 4.11 -8.27 -1.05 0
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180336 76617132 1 NO4C22H27 AB4C22D27 -148.83 4.0 -8.44 -0.03 0
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180337 76617133 1 O2N3C21H29 A2B3C21D29 -78.92 6.14 -9.23 -0.54 0
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180338 76617134 1 IO2C18H25 AB2C18D25 -82.26 3.49 -9.51 -0.83 0
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180339 76617135 1 OF3N5C23H24 AB3C5D23E24 -121.07 3.86 -8.27 -1.14 0
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180340 76617307 1 ClON2F4H13C19 ABC2D4E13F19 -176.33 6.25 -9.7 -1.35 0
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180341 76617358 1 BrSO5N6C27H31 ABC5D6E27F31 -121.52 8.0 -8.5 -0.99 0
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180342 76617359 1 SO4N6C35H40 AB4C6D35E40 -61.88 4.86 -7.93 -0.84 0
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180343 76617360 1 S2O3N4C22H22 A2B3C4D22E22 -43.71 3.44 -8.57 -0.99 0
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180344 76617868 1 O7N11C48H59 A7B11C48D59 -214.87 10.16 -8.44 -0.08 0
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180345 76617881 1 O5C23H26 A5B23C26 -145.28 2.41 -9.16 -0.16 0
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180346 76618201 1 N3O6C45H77 A3B6C45D77 -380.89 6.29 -8.94 0.74 0
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180347 76618202 1 N3O8C31H45 A3B8C31D45 -308.05 5.37 -8.72 -0.68 1
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180348 76618203 1 N3O8C31H46 A3B8C31D46 -287.6 10.89 0.0 0.0 0
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180349 76618885 1 F3O3N6C26H31 A3B3C6D26E31 -206.41 6.87 -8.82 -0.88 0
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180351 76620085 1 N11O12C38H71 A11B12C38D71 -608.25 4.16 -9.6 0.0 0