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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81800 49855174 1 N2S4O11C42H47 A2B4C11D42E47 -356.68 4.61 0.0 0.0 1
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81801 49855176 1 S2N3O5C37H44 A2B3C5D37E44 -125.14 3.93 0.0 0.0 0
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81802 49855180 1 ClFSO3N5H17C18 ABCD3E5F17G18 -81.32 6.28 -8.72 -0.62 0
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81803 49855183 1 ClSO3N5C19H20 ABC3D5E19F20 -47.39 5.52 -8.6 -0.52 0
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81805 49855185 1 ClSO4N5C19H20 ABC4D5E19F20 -75.5 7.16 -8.48 -0.48 0
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81806 49855186 1 ClSO3N5C20H22 ABC3D5E20F22 -52.21 5.69 -8.5 -0.34 0
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81807 49855189 2 N2O3C13H16 A2B3C13D16 -233.3 2.65 -9.04 -0.02 0
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81808 49855190 1 SF3O3N6C24H31 AB3C3D6E24F31 -255.42 5.12 -8.96 -0.89 0
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81809 49855191 1 FSO2N6C18H23 ABC2D6E18F23 -97.09 7.84 -8.86 -0.95 0
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81810 49855192 1 S2F3O3N5C17H18 A2B3C3D5E17F18 -211.95 3.42 -8.94 -1.28 0
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81811 49855193 1 O2S2F3N5C18H20 A2B2C3D5E18F20 -185.63 4.87 -8.62 -0.94 0
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81812 49855195 1 SO2F3N6C22H29 AB2C3D6E22F29 -211.95 6.92 -8.84 -0.78 0
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81813 49855196 1 ClSO4N5H18C23 ABC4D5E18F23 -12.34 4.89 -8.82 -1.54 0
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81814 49855200 1 SN4O5H22C23 AB4C5D22E23 -73.48 5.14 -9.01 -1.31 0
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81815 49855201 1 SN2O4C23H24 AB2C4D23E24 -80.5 7.22 -8.92 -0.65 0
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81816 49855202 1 SF3O4C22H25 AB3C4D22E25 -307.45 5.16 -8.99 -0.59 0
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81817 49855203 1 NSCl2O4C22H23 ABC2D4E22F23 -129.31 7.06 -9.1 -0.82 0
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81818 49855205 1 ClON6C19H21 ABC6D19E21 24.43 5.24 -9.02 -0.89 0
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81819 49855206 1 ClON6C18H19 ABC6D18E19 41.79 6.32 -8.91 -0.82 0
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81820 49855207 1 ClSN3O4H12C18 ABC3D4E12F18 -23.82 6.79 -9.52 -1.78 0
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81821 49855209 1 NSO6C21H21 ABC6D21E21 -196.85 10.53 -8.46 -0.82 0
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81822 49855211 1 NSO7H19C20 ABC7D19E20 -216.84 12.51 -8.71 -1.03 0
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81823 49855213 1 N2O5C17H18 A2B5C17D18 -176.06 5.78 -9.27 -1.46 0
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81824 49855214 1 SN2O8H14C18 AB2C8D14E18 -171.68 10.57 -8.72 -2.0 0
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81825 49855216 1 N2O9C22H24 A2B9C22D24 -353.61 4.74 -8.92 -1.27 0
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81826 49855217 2 ON3H6C8 AB3C6D8 90.69 7.95 -9.34 -1.58 0
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81827 49855218 1 O3N5C14H17 A3B5C14D17 -40.95 3.29 -8.53 -0.15 0
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81828 49855219 1 N2O3C26H30 A2B3C26D30 -41.8 4.89 -8.41 -0.03 0
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81829 49855221 1 O7C23H28 A7B23C28 -227.08 5.31 -8.36 0.14 0
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81830 49855223 1 F2S2N10O17C38H54 A2B2C10D17E38F54 -655.98 13.31 -9.2 -1.2 0
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81831 49855228 1 ClFN5C23H25 ABC5D23E25 14.38 3.72 -8.57 -0.42 0
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81832 49855229 1 ClSO3N6H21C25 ABC3D6E21F25 41.15 10.5 -8.58 -1.04 0
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81833 49855230 1 FO3N4C35H39 AB3C4D35E39 -108.3 7.16 -8.63 -0.63 0
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81834 49855232 1 F2N3O3H13C17 A2B3C3D13E17 -138.44 6.12 -9.7 -1.43 0
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81835 49855233 1 ON7C24H25 AB7C24D25 90.47 9.51 -8.31 -0.62 0
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81836 49855234 1 O3F6C26H38 A3B6C26D38 -502.36 1.91 -10.12 0.04 0
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81837 49855235 1 FS2N5O11C58H74 AB2C5D11E58F74 -468.82 8.72 -8.9 -0.99 0
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81838 49855236 1 FS2N5O5C33H40 AB2C5D5E33F40 -198.33 5.69 -8.87 -0.86 0
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81839 49855238 1 ON4C15H20 AB4C15D20 -6.39 4.17 -8.55 -0.29 0
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81840 49855240 1 SN5O5H21C24 AB5C5D21E24 -59.83 9.82 -9.04 -1.21 0
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81842 49855243 1 Cl2N4O5C35H44 A2B4C5D35E44 -207.75 6.59 -8.78 -0.37 0
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81843 49855244 1 SF2N6O9C47H64 AB2C6D9E47F64 -430.13 10.57 -8.75 -0.82 0
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81844 49855247 1 F3N3O5H16C20 A3B3C5D16E20 -188.06 8.8 -9.45 -0.99 0
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81845 49855248 1 FO2N5C23H24 AB2C5D23E24 -66.74 6.77 -8.86 -0.61 0
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81846 49855249 1 FCl2O4N6C24H35 AB2C4D6E24F35 -213.54 5.92 -8.87 -1.39 0
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81847 49855250 2 ON2C10H15 AB2C10D15 -22.16 9.18 -8.92 -0.81 0
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81848 49855251 1 O2N6C23H24 A2B6C23D24 9.94 1.8 -8.6 -1.01 0
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81849 49855252 1 O7C26H36 A7B26C36 -322.96 4.0 -9.42 0.22 0
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81850 49855253 1 O7C26H36 A7B26C36 -324.47 3.36 -9.35 0.26 0
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81851 49855254 10 OC3H4 AB3C4 -456.83 2.47 -9.3 0.38 0