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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410125 135082914 1 BiH13C14 AB13C14 108.15 1.2 -8.68 0.42 0
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410126 135082915 1 BiC9H11 AB9C11 77.19 1.22 -8.64 0.56 -4
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410127 135082916 2 AuClC8H18 ABC8D18 -16.88 10.52 -8.86 -0.88 0
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410128 135082917 1 AuClP2C22H26 ABC2D22E26 95.63 6.6 -8.24 -0.99 0
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410129 135082918 2 AuPC6H14 ABC6D14 62.24 11.48 -7.71 0.79 -1
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410130 135082919 1 PC6H14 AB6C14 19.39 3.87 0.0 0.0 0
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410131 135082920 1 AuClP2Si2C14H38 ABC2D2E14F38 -186.96 10.87 -8.2 -0.98 0
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410133 135082922 1 OPAu2S2C18H21 ABC2D2E18F21 89.36 12.35 -8.08 -1.29 0
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410134 135082924 1 FeP5C13H21 AB5C13D21 61.56 6.64 -8.49 -1.71 0
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410135 135082925 1 Cr2P5C18H26 A2B5C18D26 130.2 6.03 0.0 0.0 0
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410136 135082926 1 NO2C8H9 AB2C8D9 -59.85 5.11 -9.09 -0.39 -2
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410137 135082928 2 MnF2H2O5C8 AB2C2D5E8 -209.77 4.94 -7.82 -1.68 0
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410138 135082929 2 SeH3C4 AB3C4 63.91 1.52 -7.76 -1.82 0
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410139 135082930 2 SeH3C4 AB3C4 45.64 1.51 -8.08 -1.78 0
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410140 135082931 1 O3C8H10 A3B8C10 -100.43 3.97 -10.15 -0.57 0
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410141 135082932 1 ON2C11H12 AB2C11D12 23.98 5.58 -8.92 -0.98 1
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410142 135082933 1 ON2C11H13 AB2C11D13 11.77 4.42 0.0 0.0 0
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410143 135082934 1 BrNO3H12C17 ABC3D12E17 -33.17 2.19 -8.53 -1.03 0
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410144 135082935 1 N2O3H20C22 A2B3C20D22 -20.93 8.03 -8.43 -1.73 1
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410145 135082936 1 N2O3H21C22 A2B3C21D22 -34.36 2.92 0.0 0.0 0
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410146 135082937 2 NOH3C4 ABC3D4 5.55 2.01 -9.57 -1.56 1
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410147 135082938 1 N2O2H7C8 A2B2C7D8 -2.27 6.92 0.0 0.0 0
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410148 135082939 1 NO10C27H29 AB10C27D29 -392.73 2.44 -8.83 -1.91 0
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410150 135082941 1 O7H10C20 A7B10C20 -117.58 1.91 -9.72 -1.71 0
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410151 135082942 1 BC28H47 AB28C47 -39.37 0.36 -9.13 0.46 0
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410152 135082943 1 BSi2O6C56H69 AB2C6D56E69 -319.09 5.1 -8.91 -0.31 0
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410153 135082944 1 BO4C30H45 AB4C30D45 -267.36 2.09 -9.27 0.36 0
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410154 135082945 2 BO2H12C14 AB2C12D14 -164.36 0.16 -9.55 0.04 0
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410155 135082946 1 SN2O4C12H12 AB2C4D12E12 -107.77 5.43 -10.3 -0.76 0
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410156 135082947 1 PN2O5C7H13 AB2C5D7E13 -274.92 1.97 -10.54 -0.31 0
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410157 135082948 1 OSC7H14 ABC7D14 -36.41 4.17 -8.74 -0.33 0
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410158 135082949 1 NO2C14H23 AB2C14D23 -39.14 3.48 -9.56 1.06 0
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410160 135082951 1 PN2H5C6 AB2C5D6 69.45 2.01 -8.34 -0.75 0
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410161 135082952 1 OC11H20 AB11C20 -83.68 3.84 -9.71 0.8 0
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410162 135082953 1 OC12H22 AB12C22 -89.5 2.98 -9.45 0.94 0
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410163 135082954 1 BNC7H14 ABC7D14 -35.91 2.62 -8.6 1.84 0
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410164 135082955 1 BNC9H18 ABC9D18 -49.9 2.43 -8.61 1.71 0
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410165 135082956 1 BC10H19 AB10C19 -33.21 0.46 -9.31 0.6 0
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410167 135082958 1 BNPSi2C22H33 ABCD2E22F33 -161.09 4.28 -7.62 -0.11 0
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410168 135082959 1 B2Cl2N2Si3C14H30 A2B2C2D3E14F30 -231.98 3.58 -8.24 0.11 0
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410169 135082960 1 BC24H41 AB24C41 -42.28 0.84 -9.25 0.56 0
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410170 135082961 1 BC25H41 AB25C41 -12.22 0.71 -9.21 0.42 0
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410171 135082962 1 BC25H41 AB25C41 -8.61 0.7 -9.17 0.63 0
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410172 135082963 1 BC24H41 AB24C41 -35.72 1.06 -9.14 0.52 1
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410173 135082964 1 KNC11H14 ABC11D14 21.21 6.27 -5.89 0.3 0
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410174 135082965 1 NC11H14 AB11C14 46.21 0.96 0.0 0.0 0
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410175 135082966 1 KC10H13 AB10C13 29.86 9.57 -6.0 0.2 0
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410176 135082967 2 MnH3O3C7 AB3C3D7 21.25 1.79 -7.69 -2.1 0
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410177 135082968 1 Mn2O6H8C15 A2B6C8D15 -30.59 2.13 -7.44 -1.92 0
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410178 135082969 2 MnO3H5C8 AB3C5D8 143.52 0.51 -6.55 -1.13 0
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410179 135082970 1 Mn2O6H12C17 A2B6C12D17 -2.99 1.05 -7.74 -2.15 0
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410180 135082971 1 C11H12 A11B12 69.76 0.77 -8.52 -0.98 0
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410181 135082972 4 C5H8 A5B8 -21.34 0.97 -8.6 1.52 0
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410183 135082974 1 O5C20H24 A5B20C24 -190.61 2.57 -9.75 -0.84 0
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410186 135082977 1 N2C21H26 A2B21C26 48.25 3.39 -8.18 0.3 0
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410187 135082978 1 N2Pt2S2C25H42 A2B2C2D25E42 158.21 8.28 -8.61 -1.57 0
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410188 135082979 1 O2C11H18 A2B11C18 -104.37 3.6 -9.18 0.29 0
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410189 135082980 1 NO3C11H15 AB3C11D15 -133.5 2.23 -9.22 0.1 0
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410192 135082983 1 ZrCl2C20H22 AB2C20D22 120.26 12.31 -6.46 -2.12 0
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410193 135082984 2 C10H11 A10B11 91.31 1.24 -8.3 -0.48 0
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410198 135082989 1 NC10H17 AB10C17 -0.69 2.48 -9.25 0.69 -1
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410201 135082992 1 NC11H21 AB11C21 -12.27 3.28 -9.81 0.46 -1
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410203 135082994 1 BNSi4C13H37 ABC4D13E37 -109.4 0.99 0.0 0.0 0
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410204 135082995 1 SN4O5H16C20 AB4C5D16E20 -73.44 6.5 -9.05 -2.08 0
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410205 135082996 1 BNOBr2C25H26 ABCD2E25F26 -82.68 7.97 -8.85 -0.82 0
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410206 135082997 2 H5C6 A5B6 125.6 1.71 -8.74 -0.26 0
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410207 135082998 3 C3H4 A3B4 121.27 2.02 -9.32 0.63 0
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410211 135083002 1 H32C45 A32B45 743.14 3.3 -6.77 -2.32 0
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410213 135083004 1 PC12H19 AB12C19 45.56 1.29 -7.83 2.99 0
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410214 135083005 1 CoO2P2C9H22 AB2C2D9E22 -181.26 13.73 0.0 0.0 0
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410215 135083006 1 ClN2O10H27C34 AB2C10D27E34 1.3 7.56 -7.93 -1.2 0
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410216 135083007 1 PC11H21 AB11C21 -25.94 1.7 -8.5 1.47 0
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410217 135083008 1 SO2H26C28 AB2C26D28 101.17 3.73 -9.0 -0.48 0
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410219 135083010 1 O21C46H62 A21B46C62 -570.45 3.73 -9.04 -0.21 0
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410221 135083012 1 OH12C15 AB12C15 49.82 1.65 -8.17 -0.91 0