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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440145 135230045 1 ON2C19H24 AB2C19D24 25.94 3.18 -7.97 0.14 0
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440146 135230046 1 N2C17H30 A2B17C30 -38.92 2.1 -8.71 3.09 0
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440147 135230047 1 N2C13H26 A2B13C26 -36.32 3.12 -8.66 3.13 0
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440148 135230048 1 N2C13H24 A2B13C24 -3.73 0.74 -8.78 2.62 0
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440149 135230050 1 ON3C25H43 AB3C25D43 -60.97 2.93 -8.39 1.98 0
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440150 135230051 1 N3C28H45 A3B28C45 57.62 3.02 -8.03 0.43 0
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440151 135230052 3 NC10H17 AB10C17 4.49 0.97 -8.32 0.37 0
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440152 135230053 1 Cl2N3O4C25H29 A2B3C4D25E29 -163.26 4.27 -8.85 -1.06 0
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440153 135230055 1 SN2O3C17H24 AB2C3D17E24 -125.64 1.33 -8.74 -0.23 0
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440154 135230056 1 S3C8H16 A3B8C16 0.24 0.82 -8.75 -1.1 0
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440155 135230060 1 NOCl2H9C10 ABC2D9E10 -28.85 3.76 -9.25 -1.0 0
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440156 135230062 1 N2O3C7H14 A2B3C7D14 -102.54 3.03 -9.97 -0.31 0
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440157 135230066 1 F4N7O11C55H59 A4B7C11D55E59 -611.33 6.73 -9.4 -1.15 0
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440158 135230067 1 N3O3C22H37 A3B3C22D37 -94.15 2.71 -8.81 1.97 0
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440159 135230068 1 ON3C23H39 AB3C23D39 -66.46 3.63 -8.43 2.08 0
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440160 135230069 1 N3C23H39 A3B23C39 90.27 3.93 -8.12 2.62 0
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440161 135230070 1 N3C25H43 A3B25C43 -7.23 2.32 -8.22 2.59 0
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440162 135230071 1 Cl2N5O11C38H49 A2B5C11D38E49 -434.17 6.74 -8.66 -1.75 1
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440163 135230072 1 O2N3C11H20 A2B3C11D20 -49.24 6.02 0.0 0.0 0
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440164 135230073 1 O7C16H26 A7B16C26 -284.4 4.01 -9.92 -0.19 0
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440165 135230074 2 NSO6H17C23 ABC6D17E23 -317.49 10.1 -8.7 -2.2 0
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440166 135230075 2 NSO6H17C23 ABC6D17E23 -314.09 15.51 -8.79 -2.17 0
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440167 135230076 1 Cl4N5O21C61H85 A4B5C21D61E85 -825.16 8.17 -8.89 -1.07 0
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440168 135230077 1 F4N8O11H50C51 A4B8C11D50E51 -569.19 5.2 -9.28 -1.45 0
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440169 135230078 1 OSC15H26 ABC15D26 -78.1 3.7 -8.71 0.58 0
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440170 135230079 1 PN2O3C24H31 AB2C3D24E31 -171.65 2.43 -8.2 0.03 0
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440171 135230080 1 N2C17H30 A2B17C30 -16.9 2.4 -8.72 2.75 0
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440172 135230081 1 N3C27H47 A3B27C47 -52.58 3.45 -8.78 2.92 0
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440173 135230082 1 N3C30H53 A3B30C53 -68.23 2.43 -8.68 3.09 0
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440174 135230083 1 N2C21H38 A2B21C38 -67.39 1.19 -8.69 3.07 0
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440175 135230084 1 NC15H33 AB15C33 -69.67 1.7 -8.85 3.0 0
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440176 135230085 1 N4O6C35H38 A4B6C35D38 -113.82 5.13 -8.55 -0.82 0
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440177 135230087 1 OSN3C44H85 ABC3D44E85 -171.29 5.73 -8.66 0.82 0
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440178 135230088 1 BrPC4H10 ABC4D10 -38.79 2.49 -9.26 0.2 0
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440179 135230089 1 NO2S2C11H15 AB2C2D11E15 13.88 3.1 -9.05 -1.42 0
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440180 135230090 1 NSC6H15 ABC6D15 -28.3 1.91 -8.52 0.74 0
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440181 135230091 1 NO4C9H11 AB4C9D11 -97.74 4.4 -10.12 -1.88 0
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440182 135230092 1 OSN3C43H83 ABC3D43E83 -168.38 5.45 -8.73 0.68 0
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440183 135230093 1 ClN4C13H17 AB4C13D17 41.5 6.57 -8.93 -0.68 0
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440184 135230094 1 ON2S2C11H16 AB2C2D11E16 -1.54 4.46 -9.09 -1.48 0
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440185 135230095 1 N2C11H22 A2B11C22 1.69 1.45 -8.18 1.09 0
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440186 135230096 1 ON2C12H14 AB2C12D14 2.81 3.97 -8.07 0.03 0
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440187 135230097 1 NO2S2C13H19 AB2C2D13E19 0.93 5.45 -8.98 -1.35 0
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440188 135230098 2 NC6H12 AB6C12 -2.62 1.91 -8.21 1.1 0
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440189 135230099 1 ON8C20H26 AB8C20D26 47.43 5.57 -8.02 -0.59 0
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440190 135230100 1 ClN4C12H15 AB4C12D15 46.42 6.53 -8.94 -0.71 0
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440191 135230101 1 N3C7H15 A3B7C15 38.22 3.25 -8.36 0.45 0
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440192 135230102 1 ClN4O4C20H23 AB4C4D20E23 -112.7 2.6 -9.36 -1.61 0
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440193 135230103 1 O2N3C19H29 A2B3C19D29 -26.53 6.47 -9.56 0.55 0
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440194 135230104 2 O2C5H9 A2B5C9 -208.2 2.87 -10.29 1.27 0
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440195 135230105 1 N2O2C15H24 A2B2C15D24 -93.58 2.7 -8.23 0.22 0
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440196 135230106 1 O7C20H32 A7B20C32 -333.74 2.07 -10.1 -0.7 0
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440197 135230107 1 O5C11H18 A5B11C18 -226.74 3.52 -10.11 0.03 0
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440198 135230108 1 N2O10H24C29 A2B10C24D29 -327.91 4.97 -9.54 -2.25 0
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440199 135230109 1 NSO4C12H23 ABC4D12E23 -222.78 9.42 -9.72 -0.4 0
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440200 135230110 1 N5O8C37H43 A5B8C37D43 -147.0 8.86 -8.47 -1.5 0
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440201 135230111 1 NOC9H21 ABC9D21 -78.08 2.94 -9.11 2.24 0
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440202 135230112 1 NO2H17C19 AB2C17D19 80.8 4.58 -8.91 -0.38 0
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440203 135230113 1 N4O18C59H86 A4B18C59D86 -706.89 3.79 -8.44 -1.64 0
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440204 135230114 1 SN2C11H22 AB2C11D22 8.49 1.92 -8.15 0.06 0
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440205 135230115 1 SN2O2H20C23 AB2C2D20E23 -5.52 8.85 -8.36 -1.21 0
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440206 135230116 1 O7C15H18 A7B15C18 -295.55 5.44 -9.45 -0.25 0
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440207 135230117 2 NOSC7H12 ABCD7E12 -11.34 4.92 -8.83 -1.07 0
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440208 135230118 1 NO2C15H27 AB2C15D27 -141.34 2.73 -10.37 0.01 0
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440209 135230119 2 NOSC6H9 ABCD6E9 8.9 4.06 -9.1 -1.36 0
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440210 135230120 1 NSO2C8H13 ABC2D8E13 -100.68 3.15 -8.74 -0.56 0
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440211 135230121 3 NO2C13H17 AB2C13D17 -167.15 9.92 -8.42 -0.14 0
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440212 135230122 1 NSO4H5C6 ABC4D5E6 -86.16 1.64 -9.7 -1.79 0
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440213 135230123 1 SN2O2H22C23 AB2C2D22E23 -23.49 10.14 -8.34 -1.12 0
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440214 135230125 1 SN2O6H20C23 AB2C6D20E23 -152.43 7.15 -8.55 -1.34 0
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440215 135230126 1 P3N12O18C28H39 A3B12C18D28E39 -741.17 8.46 -9.18 -0.73 0
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440216 135230127 1 ClN4C13H17 AB4C13D17 40.25 6.53 -8.94 -0.7 0
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440217 135230128 1 N4O15C59H92 A4B15C59D92 -549.5 10.01 -8.11 -0.81 0
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440218 135230129 1 ClOC12H21 ABC12D21 -45.7 1.46 -9.74 -0.9 0
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440219 135230131 1 NO2S2C14H21 AB2C2D14E21 -2.64 4.41 -9.04 -1.36 0
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440220 135230132 1 NO2C29H31 AB2C29D31 -8.07 1.72 -8.22 0.01 0
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440221 135230135 1 SN2O6H22C23 AB2C6D22E23 -167.57 6.3 -8.33 -0.98 0
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440222 135230136 1 ClN4C12H15 AB4C12D15 45.88 6.42 -8.95 -0.7 0
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440223 135230141 1 ON8C26H34 AB8C26D34 34.27 7.38 -8.23 -0.8 0
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440224 135230155 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -121.64 1.57 -9.47 -1.31 0
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440225 135230156 1 ClN2S2O5C29H41 AB2C2D5E29F41 -204.11 1.41 -9.48 -1.33 0
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440226 135230157 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -119.66 0.46 -9.48 -1.33 0
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440227 135230158 1 ClS2O4N5C29H36 AB2C4D5E29F36 -82.19 3.64 -9.01 -1.41 0
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440228 135230159 1 ClN2S2O5C25H27 AB2C2D5E25F27 -143.17 0.93 -9.25 -1.34 0
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440229 135230160 1 FS4N5O8H56C57 AB4C5D8E56F57 -157.72 3.98 -9.37 -1.31 0
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440230 135230161 1 N4S4O15C57H66 A4B4C15D57E66 -435.41 3.17 -8.16 -1.32 0
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440231 135230162 1 N2O4C27H28 A2B4C27D28 -105.66 9.17 -8.46 -1.2 1
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440233 135230164 1 SN3O8C34H39 AB3C8D34E39 -277.26 15.54 -8.36 -1.2 0
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440234 135230165 1 ClFN6S6O14C82H92 ABC6D6E14F82G92 -413.24 6.94 -8.76 -1.43 0
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440235 135230166 1 N2C9H14 A2B9C14 48.0 2.29 -8.5 0.28 0
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440236 135230167 2 NOC3H6 ABC3D6 -41.72 3.25 -9.59 -1.02 0
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440237 135230168 1 ClS2N4O4C32H41 AB2C4D4E32F41 -114.45 4.77 -8.36 -1.35 0
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440238 135230169 1 ClS2N3O4C24H32 AB2C3D4E24F32 -130.58 1.75 -9.05 -1.34 0
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440239 135230170 1 O2N3C19H31 A2B3C19D31 -106.15 2.62 -8.5 -0.12 0
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440240 135230171 2 SN2O2C16H21 AB2C2D16E21 -97.49 1.6 -9.01 -1.33 0
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440241 135230172 2 ON2C6H6 AB2C6D6 24.28 3.53 -9.78 -1.37 0
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440242 135230173 1 BrS2N3O4C31H38 AB2C3D4E31F38 -94.82 2.89 -8.97 -1.25 0
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440243 135230174 1 Cl2S4O8N11C61H77 A2B4C8D11E61F77 -195.75 2.65 -9.06 -1.38 0
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440244 135230175 1 FN2S2O4C25H29 AB2C2D4E25F29 -136.02 1.58 -9.11 -1.36 0
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440245 135230176 1 NSC6H15 ABC6D15 -25.87 1.51 -8.89 0.44 0