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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46096 10521508 1 SO7C15H22 AB7C15D22 -286.66 6.8 -9.58 -0.35 0
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46097 10521520 1 N2O4C19H26 A2B4C19D26 -186.88 2.06 -10.39 -0.4 0
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46098 10521522 2 NOC11H11 ABC11D11 42.43 3.56 -8.87 0.26 0
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46099 10521526 1 SO6C16H26 AB6C16D26 -274.76 6.9 -9.81 -0.05 0
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46100 10521534 1 ON2C23H26 AB2C23D26 49.8 4.94 -7.89 0.27 0
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46101 10521585 1 SO3N5C15H17 AB3C5D15E17 25.1 9.18 -9.39 -1.43 0
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46102 10521592 1 NS2O6C13H17 AB2C6D13E17 -229.3 3.58 -9.26 -0.82 0
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46103 10521614 1 ON3C22H25 AB3C22D25 37.51 2.29 -9.14 -0.18 0
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46104 10521668 1 SO3N6C14H16 AB3C6D14E16 31.29 5.32 -9.22 -2.16 0
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46105 10521683 1 SO5C18H20 AB5C18D20 -132.81 7.46 -9.66 -0.67 0
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46106 10521842 1 S2O3C18H22 A2B3C18D22 -109.84 5.05 -8.65 -0.68 0
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46107 10521845 1 N2O2C21H38 A2B2C21D38 -130.15 2.11 -9.44 1.22 0
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46108 10521868 1 O3N5H17C18 A3B5C17D18 12.81 4.63 -9.11 -1.03 0
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46109 10521965 1 NO3C14H19 AB3C14D19 -32.88 2.29 -8.84 -0.1 0
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46110 10522008 1 NSO6C16H19 ABC6D16E19 -231.39 5.12 -10.25 -0.77 0
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46111 10522010 1 NO4C21H23 AB4C21D23 -142.07 7.91 -9.45 -0.45 0
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46112 10522024 1 NOH23C25 ABC23D25 60.56 0.89 -7.93 -0.22 0
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46113 10522047 1 SN2O7C14H14 AB2C7D14E14 -247.17 8.78 -10.18 -1.5 0
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46114 10522052 1 NSeC20H20 ABC20D20 113.79 3.56 0.0 0.0 0
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46115 10522082 1 PS2O3C16H19 AB2C3D16E19 -104.83 1.72 -8.26 -0.6 0
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46116 10522091 1 N2O5C18H30 A2B5C18D30 -278.38 4.83 -9.46 0.4 0
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46117 10522092 1 N2O5C18H30 A2B5C18D30 -233.53 3.25 -9.62 0.21 0
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46118 10522106 1 O3C23H30 A3B23C30 -130.63 2.54 -9.2 -0.55 0
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46119 10522108 1 SN2O3C18H30 AB2C3D18E30 -108.49 5.38 -8.26 -0.55 0
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46120 10522138 1 PN3O5C15H22 AB3C5D15E22 -243.02 4.59 -9.21 -0.52 0
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46121 10522187 1 NSO3C20H21 ABC3D20E21 -64.83 3.64 -8.87 -0.87 0
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46122 10522197 1 O2N3C21H29 A2B3C21D29 -68.84 3.39 -9.2 -0.57 0
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46123 10522208 1 ClNSO2H14C19 ABCD2E14F19 -19.79 7.92 -8.6 -0.94 0
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46124 10522221 2 NO3H8C9 AB3C8D9 -62.73 7.17 -9.52 -1.43 0
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46125 10522229 1 O5C21H24 A5B21C24 -156.04 3.26 -8.82 -0.83 0
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46126 10522232 2 NO2C10H12 AB2C10D12 -122.22 6.06 -9.55 -2.0 0
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46127 10522252 1 N2O5C18H32 A2B5C18D32 -218.12 4.03 -9.79 0.28 0
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46128 10522255 1 N2S2O4C15H20 A2B2C4D15E20 -138.26 6.24 -8.84 -0.84 0
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46129 10522278 2 SC11H14 AB11C14 21.5 2.37 -8.45 0.14 0
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46130 10522281 1 ClN2O5C16H21 AB2C5D16E21 -225.34 3.57 -9.03 -0.65 0
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46131 10522282 1 ClN2O2C20H21 AB2C2D20E21 -53.39 5.43 -8.2 -0.34 0
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46132 10522311 1 SN3O6C14H19 AB3C6D14E19 -187.68 7.48 -9.36 -0.86 0
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46133 10522326 1 NSO5C17H27 ABC5D17E27 -232.5 7.28 -9.59 -0.55 0
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46134 10522341 1 ClNPSH17C19 ABCDE17F19 14.92 6.16 -8.78 -0.41 0
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46135 10522342 1 ClNSO2H16C19 ABCD2E16F19 -35.15 9.11 -7.81 -0.75 0
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46136 10522345 1 TeC17H26 AB17C26 26.0 9.22 -6.96 -0.07 0
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46137 10522351 1 N2O7H14C17 A2B7C14D17 -166.71 10.21 -9.59 -1.42 0
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46138 10522369 1 N2O7C16H26 A2B7C16D26 -307.77 2.35 -10.04 -0.41 0
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46139 10522376 1 N2O3H18C22 A2B3C18D22 6.8 10.63 -7.6 -1.47 0
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46140 10522409 1 SO3C21H26 AB3C21D26 -89.29 5.52 -8.27 -0.22 0
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46141 10522416 1 O3C23H34 A3B23C34 -147.09 4.27 -9.89 -0.94 1
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46142 10522443 1 NO4C11H22 AB4C11D22 -162.75 0.88 0.0 0.0 0
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46143 10522448 2 ClNC10H10 ABC10D10 62.01 4.13 -9.3 -0.14 0
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46144 10522466 1 N3O6C16H29 A3B6C16D29 -315.04 5.74 -10.06 0.51 0
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46145 10522477 1 NO4C21H29 AB4C21D29 -129.07 3.95 -8.86 0.22 0
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46146 10522506 1 NOCl2H19C20 ABC2D19E20 0.14 5.48 -9.42 -0.67 0
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46147 10522521 1 N2O4H16C21 A2B4C16D21 24.88 4.41 -10.07 -1.35 0
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46148 10522522 1 FO3N4C18H21 AB3C4D18E21 -112.19 9.82 -8.7 -1.01 0
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46149 10522539 2 SO2H8C9 AB2C8D9 -78.89 1.61 -9.38 -0.94 0
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46150 10522550 1 SN4H20C21 AB4C20D21 118.86 6.52 -8.14 -1.36 0
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46151 10522568 1 ClSN2O4C15H21 ABC2D4E15F21 -144.51 3.85 -8.98 -1.48 0
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46152 10522570 1 INO2C14H20 ABC2D14E20 -6.42 4.7 -9.8 -0.81 0
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46153 10522572 1 SeO3C18H18 AB3C18D18 -75.2 3.55 -8.83 -0.54 0
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46154 10522573 1 BrSN2O2C14H21 ABC2D2E14F21 -61.64 4.91 -8.78 -0.86 1
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46155 10522575 1 SN2C17H17 AB2C17D17 79.3 6.0 0.0 0.0 0
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46156 10522578 1 SeO2C19H22 AB2C19D22 -54.32 3.38 -8.53 -0.34 0
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46157 10522588 1 NPSO5C15H24 ABCD5E15F24 -270.46 6.14 -8.47 0.14 0
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46158 10522597 1 NO5C20H27 AB5C20D27 -182.58 6.66 -8.76 -0.1 0
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46159 10522599 1 O2N3C22H23 A2B3C22D23 79.0 6.74 -9.64 -1.36 0
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46160 10522600 1 S2N3O3H15C16 A2B3C3D15E16 -55.39 4.01 -8.71 -1.09 0
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46161 10522679 1 SN2O3C19H24 AB2C3D19E24 -96.44 1.99 -8.79 -0.5 0
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46162 10522687 1 S2O3C19H22 A2B3C19D22 -89.63 4.53 -8.46 -0.15 0
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46164 10522729 3 NOC7H7 ABC7D7 -54.32 1.89 -8.93 -1.31 0
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46165 10522741 1 O2N3C22H25 A2B3C22D25 -10.68 3.1 -8.48 -0.42 0
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46166 10522743 2 ClS2C6H10 AB2C6D10 -63.6 3.3 -8.81 -1.9 0
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46167 10522746 1 N2O2C23H27 A2B2C23D27 -16.44 4.17 0.0 0.0 0
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46168 10522764 1 ClNO2C21H30 ABC2D21E30 -98.34 5.86 -8.5 -0.02 1
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46169 10522769 1 N2C16H17 A2B16C17 45.07 3.28 0.0 0.0 0
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46170 10522770 1 N2O2F6H10C15 A2B2C6D10E15 -262.46 4.2 -9.37 -1.88 0
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46171 10522775 4 OH3C6 AB3C6 50.62 2.08 -9.87 -1.68 0
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46172 10522792 1 O3N4C20H20 A3B4C20D20 -28.89 3.6 -8.34 -0.96 0
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46173 10522799 1 ON2H20C25 AB2C20D25 94.7 4.04 -8.98 -0.91 0
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46175 10522810 2 O2C11H18 A2B11C18 -215.98 2.52 -9.18 0.11 0
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46176 10522811 1 N4C23H32 A4B23C32 76.6 2.44 -8.04 0.18 0
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46177 10522815 2 NOC11H20 ABC11D20 -97.54 1.79 -8.62 0.37 0
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46178 10522817 1 SSiO2C20H32 ABC2D20E32 -152.9 2.18 -8.75 -0.17 0
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46179 10522823 1 ClOS2N6H9C13 ABC2D6E9F13 101.94 1.87 -9.11 -1.48 0
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46180 10522832 1 SeO2H14C20 AB2C14D20 38.01 3.03 -9.1 -0.92 0
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46181 10522850 1 NO6C19H27 AB6C19D27 -210.9 2.48 -8.41 0.14 0
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46182 10522853 1 NO6C19H27 AB6C19D27 -224.72 1.38 -9.44 0.24 0
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46183 10522854 1 NO4C22H23 AB4C22D23 -108.01 2.23 -8.88 -0.53 0
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46184 10522890 1 ClSN3H16C20 ABC3D16E20 118.39 3.95 -9.14 -0.89 0
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46185 10522892 1 Br2O4H10C11 A2B4C10D11 -143.15 1.88 -9.43 -0.88 0
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46186 10522905 1 N2O5H18C20 A2B5C18D20 -101.49 3.39 -9.45 -1.46 0
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46187 10522910 1 PO3C22H23 AB3C22D23 -102.29 4.79 -9.6 -0.05 0
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46188 10522911 1 O9C16H30 A9B16C30 -430.99 3.57 -10.11 0.31 0
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46189 10522919 1 OSN2H14C23 ABC2D14E23 94.95 4.62 -8.6 -1.4 0
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46190 10522943 3 OC8H10 AB8C10 -123.96 4.07 -9.49 -0.55 0
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46191 10522948 2 ON3C9H17 AB3C9D17 -104.47 3.48 -9.26 0.34 0
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46192 10522953 2 O2C11H18 A2B11C18 -217.14 0.98 -9.36 0.73 0
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46193 10522968 1 ClO2N4H15C19 AB2C4D15E19 90.43 5.95 -8.95 -1.83 0
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46194 10522974 1 BrO6C14H23 AB6C14D23 -288.18 2.94 -10.53 -0.1 0
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46195 10522976 1 NSF7H8C15 ABC7D8E15 -273.92 2.51 -9.69 -1.19 0
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46196 10522977 1 NSO2F3H16C18 ABC2D3E16F18 -189.58 5.36 -9.51 -1.03 0
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46197 10522983 1 N3O4C20H21 A3B4C20D21 -133.69 4.51 -8.57 -0.39 0