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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321134 126664988 1 SN2C10H17 AB2C10D17 18.19 3.38 0.0 0.0 1
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321135 126664990 1 SN2C12H21 AB2C12D21 8.13 3.69 0.0 0.0 0
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321136 126664995 1 BrNSC17H36 ABCD17E36 -15.55 36.45 -5.53 -2.0 0
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321137 126665012 1 BrSN3C16H32 ABC3D16E32 -9.92 13.49 -7.98 -0.6 0
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321138 126665016 1 BrNSC8H18 ABCD8E18 -21.52 11.59 -7.89 -0.06 1
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321139 126665020 1 SN2C13H31 AB2C13D31 -11.25 3.61 0.0 0.0 0
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321140 126665021 1 BrSN2C7H19 ABC2D7E19 -18.03 11.71 -7.99 0.07 0
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321141 126665025 1 BrSN3C17H34 ABC3D17E34 -33.59 8.06 -9.08 0.02 1
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321142 126665028 1 NSC9H20 ABC9D20 8.78 1.83 0.0 0.0 0
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321143 126665029 1 BrSN2C16H35 ABC2D16E35 -61.64 11.58 -7.81 0.0 1
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321144 126665030 1 SN2C16H35 AB2C16D35 -16.81 2.88 0.0 0.0 0
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321145 126665033 1 BrSN2C16H35 ABC2D16E35 -47.87 15.47 -7.73 -0.31 1
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321146 126665034 1 SN2C16H35 AB2C16D35 -17.03 3.99 0.0 0.0 1
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321147 126665036 1 SN2C18H33 AB2C18D33 -18.54 2.02 0.0 0.0 1
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321148 126665038 1 SN3C15H30 AB3C15D30 -0.89 3.23 0.0 0.0 1
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321149 126665040 1 SN2C8H19 AB2C8D19 21.49 1.14 0.0 0.0 0
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321150 126665053 1 BrSN2C10H23 ABC2D10E23 -28.43 10.08 -7.93 -0.03 1
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321151 126665054 1 SN2C10H23 AB2C10D23 10.9 2.49 0.0 0.0 0
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321152 126665055 1 BrSN2C19H41 ABC2D19E41 -66.95 12.0 -7.93 -0.15 1
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321153 126665056 1 SN2C19H41 AB2C19D41 -34.4 5.33 0.0 0.0 0
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321154 126665057 1 BrSN2C12H27 ABC2D12E27 -29.5 9.97 -7.77 -0.66 1
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321155 126665058 1 SN2C12H27 AB2C12D27 2.26 4.49 0.0 0.0 0
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321156 126665061 1 BrSN2C9H23 ABC2D9E23 -9.58 13.82 -7.55 -0.86 1
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321157 126665064 1 SN2C15H35 AB2C15D35 -21.23 3.61 0.0 0.0 0
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321158 126665065 1 BrSN2C17H37 ABC2D17E37 -61.02 11.91 -7.82 0.23 0
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321159 126665070 2 OC8H13 AB8C13 -119.03 2.16 -9.81 0.37 0
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321160 126665071 1 BrSN2C10H17 ABC2D10E17 5.24 5.38 -7.77 -1.31 1
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321161 126665072 1 SN2C10H17 AB2C10D17 18.55 4.42 0.0 0.0 0
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321162 126665073 2 OC8H13 AB8C13 -121.71 3.3 -9.93 0.4 0
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321163 126665075 1 BrSN2C12H29 ABC2D12E29 -39.11 11.66 -8.0 -0.25 1
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321164 126665076 1 SN2C12H29 AB2C12D29 -5.89 4.85 0.0 0.0 0
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321165 126665077 1 NO2C7H15 AB2C7D15 -109.45 2.61 -9.14 1.63 1
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321166 126665079 1 SN3C6H12 AB3C6D12 38.67 2.51 0.0 0.0 1
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321167 126665081 1 SN2C10H23 AB2C10D23 12.13 3.79 0.0 0.0 1
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321168 126665085 1 SN2C15H27 AB2C15D27 -4.06 2.95 0.0 0.0 1
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321169 126665089 1 SN2C12H21 AB2C12D21 8.17 3.65 0.0 0.0 0
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321170 126665092 1 BrSN2C17H37 ABC2D17E37 -45.59 13.3 -7.35 -0.02 0
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321171 126665096 1 BrSN2C18H39 ABC2D18E39 -43.96 19.17 -6.96 -1.27 0
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321172 126665098 1 BrSN3C7H14 ABC3D7E14 4.67 1.27 -8.21 -0.21 1
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321173 126665099 1 SN3C7H14 AB3C7D14 33.9 2.12 0.0 0.0 0
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321174 126665100 1 BrSN2C5H15 ABC2D5E15 -8.74 11.01 -8.14 -0.24 0
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321175 126665102 1 BrSN2C19H35 ABC2D19E35 -28.12 8.21 -7.72 -0.52 1
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321176 126665103 1 SN2C19H35 AB2C19D35 -24.1 3.02 0.0 0.0 0
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321177 126665105 1 BrSN2C13H29 ABC2D13E29 -34.32 13.42 -7.71 -0.89 1
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321178 126665106 1 SN2C13H29 AB2C13D29 -13.94 2.78 0.0 0.0 0
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321179 126665107 1 BrSN2C7H19 ABC2D7E19 -12.52 11.12 -7.98 -0.4 1
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321180 126665108 1 SN2C7H19 AB2C7D19 18.53 5.08 0.0 0.0 0
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321181 126665109 1 BrSN3C14H28 ABC3D14E28 -19.84 3.91 -7.77 0.22 1
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321182 126665110 1 SN3C14H28 AB3C14D28 13.2 3.32 0.0 0.0 0
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321183 126665123 1 ClN2O2H17C21 AB2C2D17E21 24.26 1.51 -8.2 -0.67 0
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321184 126665124 1 ClFON2H14C20 ABCD2E14F20 20.61 4.09 -8.43 -0.71 0
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321185 126665127 1 Cl2N2O2H16C21 A2B2C2D16E21 14.17 2.0 -8.37 -0.92 0
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321186 126665139 1 BrSN2O2C17H17 ABC2D2E17F17 2.11 5.48 -8.99 -0.85 0
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321187 126665143 1 SO3N5C17H17 AB3C5D17E17 -25.24 3.32 -9.08 -1.52 0
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321188 126665147 1 SO3N5C19H25 AB3C5D19E25 -71.59 5.59 -8.78 -0.64 0
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321189 126665148 1 SF2O3N6H16C18 AB2C3D6E16F18 -118.83 5.58 -9.15 -1.07 0
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321190 126665153 1 ON4C13H14 AB4C13D14 12.3 4.26 -8.55 -0.51 0
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321191 126665157 1 SO3N6C17H18 AB3C6D17E18 -34.97 3.49 -9.48 -0.9 0
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321192 126665165 1 F2O4N6C21H22 A2B4C6D21E22 -166.01 7.26 -9.1 -1.29 0
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321193 126665166 1 F3O3N6H19C21 A3B3C6D19E21 -145.38 9.25 -9.18 -1.45 0
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321194 126665167 1 F3O3N6H19C21 A3B3C6D19E21 -149.83 9.24 -9.19 -1.5 0
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321198 126665177 1 FSO2N4C24H27 ABC2D4E24F27 -55.5 4.7 -8.88 -0.83 0
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321203 126665207 1 SN3O3C25H41 AB3C3D25E41 -129.61 6.69 -8.33 0.4 0
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321204 126665221 1 O2N5C26H33 A2B5C26D33 -17.21 4.07 -8.64 -0.1 0
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321206 126665238 1 BrZnC7H12 ABC7D12 33.45 1.38 0.0 0.0 0
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321209 126665295 1 O2N8C21H30 A2B8C21D30 -11.01 6.12 -8.15 0.15 0
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321210 126665301 1 ClON8C20H23 ABC8D20E23 65.98 4.02 -8.38 -0.86 0
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321211 126665336 1 ClON7C22H24 ABC7D22E24 54.02 6.49 -8.37 -0.34 0
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321212 126665340 1 ClON8C19H25 ABC8D19E25 40.32 7.31 -8.09 -0.02 0
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321213 126665380 1 FO4N7C19H22 AB4C7D19E22 -109.3 8.83 -8.97 -1.26 0
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321214 126665381 1 FO4N6C20H23 AB4C6D20E23 -120.16 10.06 -8.97 -1.15 0
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321215 126665382 1 F2O2N7C20H23 A2B2C7D20E23 -84.85 8.65 -9.02 -1.44 0
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321216 126665383 2 ClNOH10C15 ABCD10E15 41.74 3.33 -8.96 -1.02 0
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321217 126665384 2 ClNOH10C15 ABCD10E15 37.44 3.71 -8.75 -0.88 0
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321218 126665386 1 O2F3N6H17C18 A2B3C6D17E18 -131.12 7.56 -8.96 -1.35 0