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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31123 854659 1 ClNOH14C15 ABCD14E15 -14.52 4.61 -9.47 -0.26 0
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31124 854662 1 N2O3C16H20 A2B3C16D20 -131.8 3.66 -9.16 -0.32 0
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31125 854680 1 ClON2H13C15 ABC2D13E15 23.23 1.72 -8.43 -0.84 0
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31126 854685 1 ON5C20H21 AB5C20D21 81.72 5.64 -8.22 -0.19 0
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31127 854688 1 SN5C17H17 AB5C17D17 128.76 4.55 -8.25 -0.92 0
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31128 854689 1 SCl2N4H10C15 AB2C4D10E15 111.27 5.55 -9.07 -1.14 0
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31129 854704 1 O3H14C15 A3B14C15 -84.52 7.65 -9.1 -1.13 0
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31130 854706 1 O4C17H18 A4B17C18 -144.85 8.12 -9.18 -0.86 0
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31131 854707 1 O4C17H18 A4B17C18 -144.46 5.93 -9.06 -0.76 0
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31132 854708 1 O3H16C17 A3B16C17 -89.73 7.23 -8.8 -0.85 0
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31133 854711 1 N2O3H16C17 A2B3C16D17 -66.56 1.24 -8.68 -0.36 0
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31134 854713 1 Cl2N4H14C17 A2B4C14D17 88.12 4.61 -9.3 -0.57 0
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31135 854715 1 Cl2N4H14C17 A2B4C14D17 86.94 4.63 -9.26 -0.68 0
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31136 854727 1 O3H14C18 A3B14C18 -18.91 5.26 -8.72 -1.07 0
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31137 854729 1 O4H16C19 A4B16C19 -100.04 5.84 -9.17 -0.92 0
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31138 854731 3 OH6C7 AB6C7 -62.04 6.27 -8.91 -1.0 0
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31139 854732 3 OH4C5 AB4C5 -74.66 7.18 -9.06 -1.1 0
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31140 854744 1 FO4H19C20 AB4C19D20 -167.44 1.18 -8.89 -0.61 0
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31141 854746 1 NO3C17H17 AB3C17D17 -91.82 4.2 -9.36 -0.42 0
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31142 854754 1 BrON3H10C16 ABC3D10E16 69.26 2.56 -8.78 -1.57 0
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31143 854755 1 SN2O2C12H12 AB2C2D12E12 -26.14 4.4 -8.48 -0.77 0
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31144 854756 1 N3O3H9C10 A3B3C9D10 -69.33 6.09 -9.03 -1.39 0
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31145 854757 1 SN2O2H8C13 AB2C2D8E13 3.87 4.5 -9.32 -1.68 0
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31146 854759 1 ClON2H13C20 ABC2D13E20 59.44 4.35 -8.98 -0.92 0
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31147 854766 1 NO2H17C19 AB2C17D19 -18.25 5.47 -8.92 -0.74 0
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31148 854796 1 NSO4C10H11 ABC4D10E11 -149.06 7.28 -9.56 -1.22 0
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31149 854799 1 OSN3C17H17 ABC3D17E17 49.92 6.13 -8.56 -0.42 0
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31150 854804 1 ON4C14H24 AB4C14D24 -27.03 4.83 -9.52 -0.03 0
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31151 854806 2 O2H7C9 A2B7C9 -111.48 4.56 -9.42 -1.09 0
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31152 854810 1 ClNO3H14C17 ABC3D14E17 -81.04 3.7 -9.3 -0.74 0
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31153 854839 1 OCl2N3H11C13 AB2C3D11E13 -3.35 4.11 -9.06 -0.56 0
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31154 854843 1 FNO2C11H14 ABC2D11E14 -126.83 6.28 -9.88 -0.67 0
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31155 854845 1 ClNO2C16H16 ABC2D16E16 -50.85 3.22 -9.18 -0.23 0
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31156 854848 1 ClFNOH11C14 ABCDE11F14 -50.39 3.19 -9.68 -0.64 0
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31157 854858 1 NO3H15C19 AB3C15D19 -43.06 3.76 -9.36 -1.14 0
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31158 854859 1 NO3H19C21 AB3C19D21 -64.06 3.58 -9.3 -1.2 0
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31159 854875 2 NOH9C11 ABC9D11 -0.21 4.73 -8.75 -0.7 0
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31160 854883 1 ClN2O2H17C19 AB2C2D17E19 -26.67 2.9 -8.35 -0.34 0
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31161 854902 1 O5H16C19 A5B16C19 -147.9 1.94 -9.19 -0.83 0
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31162 854903 1 O3H18C23 A3B18C23 -49.32 4.38 -8.98 -0.84 0
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31163 854907 1 O6H8C11 A6B8C11 -200.49 5.42 -9.51 -1.83 0
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31164 854915 1 O5C16H18 A5B16C18 -190.73 7.7 -9.02 -0.8 0
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31165 854919 1 FO3H17C19 AB3C17D19 -125.59 6.82 -8.93 -0.75 0
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31166 854926 1 SN3O5C11H15 AB3C5D11E15 -139.95 5.98 -8.95 -0.35 1
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31167 854934 1 N2C11H13 A2B11C13 36.07 3.27 0.0 0.0 0
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31168 854939 1 O5H12C16 A5B12C16 -130.06 4.63 -8.52 -1.46 0
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31169 854940 1 ON3C9H9 AB3C9D9 25.11 1.77 -9.02 0.01 0
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31170 854948 1 NO4H11C15 AB4C11D15 -101.78 3.9 -8.85 -0.92 0
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31171 854953 1 SO3N5H11C12 AB3C5D11E12 30.1 5.05 -9.74 -1.58 0
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31172 854963 1 NSO3H15C16 ABC3D15E16 -64.71 6.35 -8.77 -1.35 0
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31173 854982 1 OSN5C16H23 ABC5D16E23 26.65 3.03 -8.83 -0.28 0
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31174 854984 1 ClOSN4H11C15 ABCD4E11F15 93.99 4.34 -9.56 -1.29 0
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31175 854997 1 NOC15H21 ABC15D21 -60.6 2.47 -8.41 0.38 0
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31176 855002 1 BrSO2H7C8 ABC2D7E8 -30.88 5.61 -10.01 -0.86 0
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31177 855006 1 O5H18C20 A5B18C20 -143.31 7.02 -9.23 -0.88 0
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31178 855008 1 O4C15H16 A4B15C16 -135.54 6.13 -9.39 -1.14 0
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31179 855009 1 O4C17H20 A4B17C20 -149.97 5.9 -9.23 -0.87 0
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31180 855010 1 O4C17H20 A4B17C20 -150.18 1.94 -8.95 -0.74 0
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31181 855028 1 BrNOH14C16 ABCD14E16 22.42 5.19 -9.13 -0.31 0
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31182 855040 1 ClFNO2H15C16 ABCD2E15F16 -89.35 6.03 -8.71 -0.64 0
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31183 855044 2 N2C11H13 A2B11C13 67.2 10.29 -8.56 -0.95 0
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31184 855045 2 N2C11H13 A2B11C13 65.52 10.21 -8.57 -0.96 0
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31185 855056 1 OCl2N2C15H20 AB2C2D15E20 -63.08 6.86 -8.9 -0.38 0
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31186 855058 1 ON2C18H20 AB2C18D20 -9.97 4.28 -8.43 0.08 0
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31187 855059 1 ON4C15H24 AB4C15D24 -23.61 4.68 -8.51 0.24 0
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31188 855060 1 ClON2C15H21 ABC2D15E21 -56.96 5.72 -8.75 -0.1 0
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31189 855063 1 ON2C22H30 AB2C22D30 -48.17 3.96 -8.52 -0.1 0
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31190 855064 1 ClON2C16H17 ABC2D16E17 -21.18 2.02 -8.7 -0.31 0
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31191 855067 1 Cl2O2N3C11H13 A2B2C3D11E13 -61.48 5.82 -8.95 -0.46 0
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31192 855078 1 N2O2H18C21 A2B2C18D21 -0.94 6.47 -8.78 -0.46 1
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31193 855079 1 ClNC15H15 ABC15D15 46.51 5.64 0.0 0.0 0
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31194 855080 1 SN2C10H14 AB2C10D14 31.61 5.98 -8.28 -0.14 0
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31195 855092 1 SO2N5C16H19 AB2C5D16E19 15.61 6.1 -9.1 -0.62 0
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31196 855123 1 ClOSN3C14H14 ABCD3E14F14 45.62 3.69 -8.99 -0.78 0
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31197 855124 1 ClOSN4C14H15 ABCD4E14F15 38.74 5.15 -9.06 -0.8 0
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31198 855133 1 OSN4C16H20 ABC4D16E20 32.27 6.78 -8.78 -0.6 0
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31199 855139 1 SO2N4C16H20 AB2C4D16E20 -5.67 7.13 -8.56 -0.63 0
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31200 855141 1 SO2N4C17H22 AB2C4D17E22 -4.7 9.52 -8.53 -0.44 0
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31201 855145 1 SO2N3C17H21 AB2C3D17E21 -67.19 7.37 -8.32 -0.82 0
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31202 855155 1 SO2N3C17H21 AB2C3D17E21 -61.79 5.98 -8.67 -0.62 0
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31203 855164 1 SN3O3C17H19 AB3C3D17E19 -88.14 4.09 -8.98 -0.94 0
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31204 855167 1 SO2N3C17H21 AB2C3D17E21 -64.76 6.87 -8.33 -0.78 0
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31205 855171 1 SO2N3C18H23 AB2C3D18E23 -71.8 4.52 -8.5 -0.6 0
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31206 855179 1 SO3N5H13C14 AB3C5D13E14 -8.15 13.68 -9.22 -1.18 0
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31207 855180 1 SO2N6C12H16 AB2C6D12E16 -13.46 13.17 -9.21 -1.16 0
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31208 855182 1 ON3C17H17 AB3C17D17 9.82 1.96 -8.32 -0.58 0
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31209 855191 1 OS2N5C15H19 AB2C5D15E19 28.33 7.1 -8.77 -1.01 0
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31210 855193 1 ClOSN4C15H19 ABCD4E15F19 -3.47 6.25 -9.07 -0.59 0
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31211 855213 1 OSN4C18H26 ABC4D18E26 -19.02 7.19 -8.19 -0.46 0
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31212 855214 1 OSN4C18H26 ABC4D18E26 -12.58 8.26 -8.93 -0.4 0
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31213 855215 1 OSN4C18H26 ABC4D18E26 -21.59 4.99 -8.64 -0.49 0
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31214 855216 1 OSN4C18H26 ABC4D18E26 -13.65 4.12 -8.72 -0.62 0
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31215 855217 1 OSN4C18H26 ABC4D18E26 -15.59 6.26 -8.56 -0.51 0
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31216 855222 1 FOSN4C16H21 ABCD4E16F21 -44.95 6.47 -9.0 -0.76 0
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31217 855225 1 OSN4C18H26 ABC4D18E26 -8.84 5.54 -8.92 -0.37 0
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31218 855226 1 SO3N4C16H16 AB3C4D16E16 -25.77 7.34 -8.77 -0.56 0
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31219 855228 1 SO2N4C14H20 AB2C4D14E20 -36.82 4.04 -8.91 -0.52 0
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31220 855231 1 FSO2N4H15C16 ABC2D4E15F16 -36.06 6.77 -8.93 -0.72 0
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31221 855236 1 SO2N4C17H18 AB2C4D17E18 1.15 7.36 -8.81 -0.6 0
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31222 855260 1 OSN5C14H17 ABC5D14E17 50.06 2.84 -8.68 -0.92 0