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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434077 135174234 1 BrClSN2C18H20 ABCD2E18F20 57.14 3.63 -8.54 -0.69 0
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434078 135174235 1 F3N3C22H22 A3B3C22D22 -72.63 3.3 -9.2 -1.26 0
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434079 135174236 1 O2C9F18 A2B9C18 -980.82 0.94 -11.67 -1.51 0
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434080 135174237 1 ClON2C19H23 ABC2D19E23 6.62 3.78 -8.99 -0.18 0
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434081 135174238 1 ClON2C22H29 ABC2D22E29 -9.38 2.43 -9.15 -0.18 0
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434082 135174239 1 BrN2O2C27H39 AB2C2D27E39 -79.28 3.02 -8.74 -0.16 0
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434083 135174240 1 NC20H39 AB20C39 -51.54 1.67 -8.9 2.87 0
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434084 135174241 1 NOC15H27 ABC15D27 -65.33 3.89 -8.86 0.79 0
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434085 135174242 1 O3C10H16 A3B10C16 -106.26 0.82 -9.3 0.5 0
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434086 135174243 4 OC3H5 AB3C5 -142.95 1.78 -9.27 0.53 0
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434087 135174244 1 O5C13H22 A5B13C22 -178.98 1.02 -9.29 0.51 0
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434088 135174245 1 OH14C19 AB14C19 43.32 0.67 -8.28 -1.1 0
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434089 135174246 1 OS2H8C11 AB2C8D11 30.62 0.89 -8.5 -1.02 0
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434091 135174249 1 FSP2N10O10C21H27 ABC2D10E10F21G27 -479.18 11.63 -9.12 -0.9 0
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434092 135174250 1 ON2C22H30 AB2C22D30 2.3 4.46 -8.7 0.15 0
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434093 135174251 1 ON2C22H30 AB2C22D30 2.36 4.72 -8.7 0.07 0
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434094 135174252 1 O5C12H20 A5B12C20 -172.72 0.73 -9.33 0.39 0
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434097 135174255 1 FP2S2O9N10C20H25 AB2C2D9E10F20G25 -390.56 12.33 -9.2 -1.8 0
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434100 135174258 1 FP2S2O9N10C20H25 AB2C2D9E10F20G25 -433.4 12.76 -9.1 -1.22 0
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434101 135174259 1 PSO7N10C20H25 ABC7D10E20F25 -219.67 11.54 -9.06 -0.9 0
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434102 135174260 1 N2C19H22 A2B19C22 78.05 3.16 -9.09 0.29 0
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434103 135174261 1 ON2F3C26H27 AB2C3D26E27 -114.28 5.9 -9.12 -1.57 0
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434104 135174262 2 NOF2C12H15 ABC2D12E15 -264.06 7.63 -9.02 -0.92 0
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434105 135174263 1 N2O7C39H74 A2B7C39D74 -385.5 2.26 -9.14 0.65 0
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434106 135174264 1 NC11H21 AB11C21 -8.33 1.57 -8.57 1.28 0
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434107 135174265 1 O2F3N3C23H30 A2B3C3D23E30 -208.65 7.82 -8.99 -1.0 0
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434108 135174266 1 BrClO2N3C22H25 ABC2D3E22F25 -26.53 2.02 -8.47 -1.01 0
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434109 135174267 1 SO3N5C27H37 AB3C5D27E37 -73.53 4.09 -8.74 -0.71 0
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434110 135174268 1 ON2H34C48 AB2C34D48 180.68 3.35 -7.9 -0.33 0
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434111 135174269 1 FP2S3O9N10C21H27 AB2C3D9E10F21G27 -451.38 13.94 -9.14 -1.18 0
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434115 135174273 1 P2S2F3O9N10C20H25 A2B2C3D9E10F20G25 -528.83 9.72 -8.6 -0.74 0
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434116 135174274 1 FP2S3O8N10C21H27 AB2C3D8E10F21G27 -417.93 9.38 -9.12 -0.79 0
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434118 135174276 1 FP2S3O9N10C21H27 AB2C3D9E10F21G27 -452.18 12.83 -9.22 -1.0 0
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434121 135174279 1 F2P2S3O8N10C20H24 A2B2C3D8E10F20G24 -416.22 7.41 -8.75 -1.77 0
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434123 135174281 1 N2C15H22 A2B15C22 7.07 4.95 -9.0 0.49 0
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434124 135174282 1 FPSO4N6C9H12 ABCD4E6F9G12 -201.62 3.9 -9.64 -1.0 0
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434125 135174283 1 FPSO4N6C9H12 ABCD4E6F9G12 -201.36 4.02 -9.66 -1.02 0
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434126 135174284 1 PSO4N5C10H14 ABC4D5E10F14 -167.26 5.46 -9.51 -0.95 0
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434127 135174286 1 OS3C7H10 AB3C7D10 15.2 3.08 -8.6 -0.88 0
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434128 135174287 1 F2P2S2O9N10C20H24 A2B2C2D9E10F20G24 -466.13 8.2 -8.73 -2.18 0
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434129 135174288 1 PSO5N6C9H13 ABC5D6E9F13 -182.84 11.68 -9.44 -1.23 0
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434131 135174290 1 FP2S2O9N11C21H24 AB2C2D9E11F21G24 -356.56 12.82 -9.46 -1.57 0
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434132 135174291 1 P2S2O9N10C20H26 A2B2C9D10E20F26 -376.81 11.12 -9.12 -1.23 0
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434133 135174292 1 FPSO5N6C10H14 ABCD5E6F10G14 -227.87 7.92 -9.71 -1.56 1
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434134 135174293 1 FP2S2O9N11C19H23 AB2C2D9E11F19G23 -292.74 6.13 0.0 0.0 0
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434141 135174302 1 FP2S3O8N11C19H24 AB2C3D8E11F19G24 -382.53 5.62 -9.36 -1.16 0
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434142 135174303 1 N2O3C20H24 A2B3C20D24 -58.61 3.12 -8.95 -0.74 0
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434143 135174304 1 N6C7H12 A6B7C12 86.75 5.57 -9.13 -0.16 1
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434144 135174307 1 P2N5O8C10H14 A2B5C8D10E14 -308.94 4.53 0.0 0.0 0
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434145 135174308 1 P2N9O13C21H27 A2B9C13D21E27 -571.24 9.03 -8.89 -0.73 0
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434146 135174309 1 P2N8O11C21H26 A2B8C11D21E26 -497.3 3.53 -8.96 -0.5 0
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434147 135174310 1 P2S2F3O9N10C20H23 A2B2C3D9E10F20G23 -516.45 3.19 -8.83 -2.03 0
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434149 135174312 1 PO8N11C21H28 AB8C11D21E28 -277.89 12.32 -9.06 -0.6 0
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434150 135174313 1 PN4O6C11H15 AB4C6D11E15 -272.78 2.75 -8.71 -0.29 0
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434151 135174314 1 FP2S3O8N10C20H25 AB2C3D8E10F20G25 -365.68 10.13 -8.78 -1.27 0
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434157 135174320 1 F2P2S2N8O9C21H24 A2B2C2D8E9F21G24 -529.67 4.57 -8.95 -0.68 0
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434159 135174322 1 FPO8N10C20H24 ABC8D10E20F24 -334.47 10.3 -9.16 -0.64 0
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434160 135174323 1 P2N11O13C19H27 A2B11C13D19E27 -555.45 12.09 -9.06 -0.78 0
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434161 135174324 1 FP2S3O8N9C21H28 AB2C3D8E9F21G28 -418.82 18.3 -8.85 -0.84 0
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434162 135174325 1 NPO5C6H16 ABC5D6E16 -306.92 3.08 -9.41 0.38 1
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434163 135174326 1 P2N9O11C21H26 A2B9C11D21E26 -419.23 8.06 0.0 0.0 0
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434164 135174327 1 PN2O6C7H15 AB2C6D7E15 -281.31 3.7 -9.56 0.19 0
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434166 135174329 1 F2P2S2N8O8C23H28 A2B2C2D8E8F23G28 -467.28 9.01 -8.58 -0.71 0
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434168 135174331 1 O3N4C23H30 A3B4C23D30 -78.32 5.85 -9.01 -1.1 0
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434169 135174332 1 FPSO4N6C10H18 ABCD4E6F10G18 -233.73 2.13 -9.01 -0.24 0
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434171 135174334 1 FPSO4N6C9H14 ABCD4E6F9G14 -204.98 2.59 -8.8 -0.57 1
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434172 135174335 1 FP2S2O9N10C20H24 AB2C2D9E10F20G24 -353.1 9.04 0.0 0.0 0
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434173 135174336 1 FP2S2O9N12C18H23 AB2C2D9E12F18G23 -366.42 9.87 -9.43 -1.25 0
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434174 135174337 1 FP2S2O10N11C21H32 AB2C2D10E11F21G32 -496.05 8.09 -9.02 -0.71 0
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434175 135174338 1 FP2S2O9N11C20H26 AB2C2D9E11F20G26 -401.96 6.68 -9.11 -1.64 0
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434177 135174340 2 PSN5O5C11H13 ABC5D5E11F13 -388.03 17.88 -9.11 -1.0 0
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434179 135174342 1 FP2S2O9N11C19H24 AB2C2D9E11F19G24 -403.92 7.68 -9.27 -1.47 0
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434181 135174344 1 FPSO4N5C10H13 ABCD4E5F10G13 -229.07 2.87 -9.02 -0.47 0
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434184 135174347 1 P2S2N10O11C21H24 A2B2C10D11E21F24 -436.06 4.66 -9.1 -1.06 0
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434186 135174349 1 FP2S3O8N10C20H25 AB2C3D8E10F20G25 -397.2 11.93 -8.96 -0.98 0