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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412152 135085026 2 ON2C28H31 AB2C28D31 144.83 12.45 -6.3 -1.39 0
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412153 135085027 2 BrON2C28H31 ABC2D28E31 108.9 15.27 -7.85 -1.38 2
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412154 135085028 2 ON2C28H31 AB2C28D31 160.47 17.61 -5.89 -1.65 2
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412155 135085029 2 ON2C29H32 AB2C29D32 169.35 14.22 -5.78 -1.53 0
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412156 135085030 2 BrON2C29H32 ABC2D29E32 129.97 23.9 -7.7 -1.22 2
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412157 135085031 2 ON2C29H32 AB2C29D32 220.97 8.51 -3.56 -1.31 0
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412158 135085032 1 ClN2O2C35H35 AB2C2D35E35 14.24 12.51 -8.73 -1.49 0
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412159 135085033 1 BrN2O2C38H49 AB2C2D38E49 51.31 31.39 -6.3 -1.65 1
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412160 135085034 1 N2O2C38H49 A2B2C38D49 48.81 4.93 0.0 0.0 0
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412161 135085035 1 O2N4C25H32 A2B4C25D32 -32.18 4.1 -8.58 -0.61 -1
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412162 135085036 1 BFePF4C18H27 ABCD4E18F27 -361.15 20.12 0.0 0.0 2
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412164 135085038 1 O2Os2P2N4C30H53 A2B2C2D4E30F53 -154.74 13.67 0.0 0.0 0
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412165 135085039 1 NO2C15H26 AB2C15D26 -74.9 0.74 0.0 0.0 1
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412166 135085040 1 N3O4C27H30 A3B4C27D30 6.64 15.96 0.0 0.0 -1
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412167 135085041 1 YO2C5H9 AB2C5D9 -57.85 2.08 -5.9 -0.41 0
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412168 135085042 1 O4C13H16 A4B13C16 -154.36 1.81 -9.68 -0.01 0
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412170 135085044 1 O4C13H22 A4B13C22 -169.57 3.25 -10.12 0.0 0
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412171 135085045 1 O3C13H20 A3B13C20 -116.42 3.51 -9.76 0.04 0
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412172 135085046 1 N3C10H11 A3B10C11 66.08 2.91 -8.88 -0.87 0
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412173 135085047 1 SC14H14 AB14C14 77.09 1.97 -8.13 -0.31 0
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412174 135085048 1 O2C11H14 A2B11C14 -69.93 0.79 -9.25 0.44 0
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412175 135085049 1 O2C13H16 A2B13C16 -65.82 4.41 -8.74 0.36 0
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412176 135085050 1 NO3C13H17 AB3C13D17 -78.39 1.63 -9.35 -0.52 0
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412177 135085051 1 C15H16 A15B16 66.23 2.09 -8.92 0.43 0
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412178 135085052 1 ClOC15H19 ABC15D19 -22.51 3.89 -9.6 -0.24 0
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412179 135085053 1 OSC8H8 ABC8D8 6.21 0.54 -9.29 -0.69 0
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412182 135085056 1 ClON3C27H28 ABC3D27E28 66.85 11.74 -7.87 -1.53 0
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412184 135085059 1 FeN2C26H40 AB2C26D40 199.97 7.58 -7.37 -0.94 0
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412185 135085060 2 BrNOSC14H17 ABCDE14F17 -49.92 15.8 -8.6 -0.98 -1
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412186 135085061 1 NOH14C15 ABC14D15 46.79 0.31 0.0 0.0 0
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412187 135085062 1 NOC15H15 ABC15D15 27.39 6.22 -8.2 -0.43 0
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412188 135085063 1 PdCl2N2C36H36 AB2C2D36E36 199.51 3.94 -7.21 -0.56 0
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412189 135085064 2 NC18H18 AB18C18 123.54 0.54 -9.13 0.21 -2
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412190 135085065 1 IrSN2O2C15H16 ABC2D2E15F16 176.51 28.4 0.0 0.0 0
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412191 135085066 1 N3O3C29H41 A3B3C29D41 -109.32 1.14 -9.14 -0.34 0
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412192 135085067 1 NVO6C23H41 ABC6D23E41 -304.85 8.44 0.0 0.0 0
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412193 135085068 1 NO3C21H33 AB3C21D33 -157.84 3.72 -8.43 -0.88 0
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412194 135085069 1 ScO2N3H19C25 AB2C3D19E25 125.4 4.62 0.0 0.0 0
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412195 135085070 1 ClNORuC15H17 ABCDE15F17 119.34 5.78 0.0 0.0 0
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412197 135085072 1 N3O3C28H39 A3B3C28D39 -105.31 4.45 -9.23 -0.63 2
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412198 135085073 1 N7O7C36H45 A7B7C36D45 -251.29 10.71 -8.98 0.17 1
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412199 135085074 1 N7O7C36H44 A7B7C36D44 -186.24 5.1 0.0 0.0 -1
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412200 135085075 1 NORh2C6H12 ABC2D6E12 1.55 17.36 0.0 0.0 -4
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412202 135085077 1 TiN2C18H19 AB2C18D19 123.23 5.47 0.0 0.0 0
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412203 135085078 1 NCl3O4C13H14 AB3C4D13E14 -185.84 2.69 -10.13 -0.74 0
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412204 135085079 1 NCl3O4C16H20 AB3C4D16E20 -198.52 4.0 -9.78 -0.45 0
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412205 135085080 1 NCl3O4C18H24 AB3C4D18E24 -205.63 3.22 -9.77 -0.41 0
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412206 135085081 1 NCl3O5C22H32 AB3C5D22E32 -274.51 9.18 -8.92 -0.56 0
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412207 135085082 1 N2O2C85H88 A2B2C85D88 53.35 2.7 -8.41 0.29 0
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412208 135085091 2 PPdO2C23H25 ABC2D23E25 61.7 10.52 -6.2 -1.74 0