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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400794 135049103 2 Cl2Ge2C10H15 A2B2C10D15 -119.04 6.8 -8.82 -0.76 0
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400795 135049111 2 LiC3H4 AB3C4 28.9 0.15 -6.85 2.41 0
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400796 135049126 1 BNaC12H28 ABC12D28 -61.87 11.78 -7.56 0.34 0
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400797 135049135 1 BO3C8H15 AB3C8D15 -214.2 2.56 -9.21 0.84 0
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400798 135049136 1 GeI2C8H18 AB2C8D18 -56.37 2.91 -9.59 -1.8 0
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400799 135049141 1 LiSnC21H21 ABC21D21 143.76 36.67 -5.2 -2.08 0
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400800 135049142 1 NCl3O6C20H26 AB3C6D20E26 -247.99 6.9 -9.1 -0.51 0
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400801 135049143 1 SO3C17H18 AB3C17D18 -67.37 6.26 -9.24 -0.71 0
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400802 135049144 1 PbO2H20C27 AB2C20D27 83.18 4.96 -9.43 -1.17 0
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400803 135049145 2 BO3C15H19 AB3C15D19 -333.53 5.09 -8.12 0.06 0
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400804 135049146 1 FeSi2C16H26 AB2C16D26 155.21 16.82 -5.86 -1.87 0
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400805 135049147 1 BClNO3C16H29 ABCD3E16F29 -204.54 4.79 -9.02 -0.08 0
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400806 135049149 1 BNSO3C22H40 ABCD3E22F40 -217.01 8.51 -8.64 -0.45 0
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400807 135049152 1 BO2C31H49 AB2C31D49 -172.75 2.58 -8.6 0.55 0
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400808 135049156 1 CrOC19H26 ABC19D26 -27.0 2.03 -7.35 0.04 0
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400809 135049157 1 GeBr2H18C20 AB2C18D20 65.95 2.91 -9.54 -0.52 0
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400810 135049158 1 PbSSi9C45H94 ABC9D45E94 -285.53 5.08 -7.53 -0.68 0
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400811 135049159 1 PbSSi8C34H78 ABC8D34E78 -265.4 5.28 -7.67 -0.9 0
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400812 135049160 1 PbSSi6C42H82 ABC6D42E82 -191.9 5.27 -7.66 -0.93 0
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400813 135049161 1 SnO2C9H20 AB2C9D20 -74.76 3.1 -8.55 0.72 0
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400814 135049162 2 BSiO2C11H21 ABC2D11E21 -387.17 3.75 -8.76 0.42 0
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400815 135049163 1 BOC26H39 ABC26D39 -65.0 1.08 -9.18 0.41 0
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400817 135049165 1 BClNC6H15 ABCD6E15 -80.27 1.45 -8.91 0.2 0
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400818 135049166 2 BClNC8H17 ABCD8E17 -190.68 0.71 -8.85 0.82 0
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400819 135049167 1 BN2O2F4C22H29 AB2C2D4E22F29 -307.09 37.35 -8.9 -3.85 1
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400820 135049168 1 N2O2C22H29 A2B2C22D29 2.76 4.12 0.0 0.0 0
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400821 135049169 2 BON2F4C11H14 ABC2D4E11F14 -633.07 24.26 -9.54 -3.04 2
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400822 135049170 2 ON2C11H14 AB2C11D14 134.01 1.26 -4.71 -2.86 0
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400823 135049171 1 BS2N4O9H29C31 AB2C4D9E29F31 -163.34 2.52 -9.55 -2.02 0
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400824 135049172 1 BN2S2O5C33H35 AB2C2D5E33F35 -181.81 8.74 -8.8 -0.37 0
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400825 135049173 1 BN2S3O5H35C37 AB2C3D5E35F37 -142.35 6.19 -8.47 -0.54 0
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400826 135049175 1 NSiO4C31H41 ABC4D31E41 -162.27 8.25 -8.78 0.34 0
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400827 135049177 1 BNSO4C35H52 ABCD4E35F52 -220.24 5.24 -8.85 -0.32 0
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400828 135049178 1 CrO6C19H24 AB6C19D24 -65.36 1.23 -7.4 0.42 0
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400829 135049179 1 CrOC14H24 ABC14D24 64.25 0.73 -6.83 0.8 0
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400830 135049180 1 BrSnO6C18H39 ABC6D18E39 -287.29 3.52 -9.64 -0.39 0
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400831 135049181 1 PbSC30H46 ABC30D46 -7.66 5.11 -8.36 -1.5 -2
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400832 135049197 1 AgC6H14 AB6C14 19.16 1.42 0.0 0.0 0
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400833 135049205 1 LiTe AB -32.63 7.65 0.0 0.0 0
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400834 135049206 1 PbO4H22C23 AB4C22D23 -90.52 4.16 -9.52 -1.32 0
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400835 135049207 1 BO3C8H17 AB3C8D17 -242.47 2.37 -10.33 1.29 0
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400836 135049208 1 BO3C29H39 AB3C29D39 -188.81 3.32 -8.94 0.42 0
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400837 135049209 1 BSiO3C29H41 ABC3D29E41 -228.16 3.15 -9.1 0.46 1
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400838 135049211 1 BClN4C15H19 ABC4D15E19 17.57 3.27 0.0 0.0 1
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400839 135049213 1 B2Cl2N6C27H33 A2B2C6D27E33 -46.87 12.96 0.0 0.0 0
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400840 135049214 1 BBr3C12H18 AB3C12D18 -1.02 1.2 -9.91 -0.82 0
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400841 135049216 1 BO9C24H45 AB9C24D45 -562.13 3.98 -10.53 0.8 0
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400842 135049218 1 SnSi8C18H54 AB8C18D54 -123.31 2.29 -5.56 -0.68 0
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400843 135049219 1 SnN4C22H22 AB4C22D22 120.69 2.4 -7.72 -0.05 0
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400844 135049220 2 SnN2C14H28 AB2C14D28 42.68 5.1 -9.77 -0.31 0
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400845 135049222 1 HSbC2Cl2 ABC2D2 -1.11 3.82 -10.15 -0.87 0
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400846 135049223 1 O3C20H30 A3B20C30 -95.92 2.84 -9.1 1.16 0
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400848 135049273 1 FNSiC22H50 ABCD22E50 -138.26 16.2 -6.93 -0.36 -1
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400849 135049274 1 FSiC6H14 ABC6D14 -101.84 2.17 0.0 0.0 0
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400850 135049275 1 PSnO4C25H45 ABC4D25E45 -243.97 2.97 -8.64 0.24 0
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400851 135049276 1 PbO3F4H18C26 AB3C4D18E26 -172.3 3.61 -8.96 -1.05 0
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400852 135049277 1 PbS2O4C6H10 AB2C4D6E10 -203.39 1.88 -9.05 -1.53 0
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400853 135049278 1 LiPbSeH15C18 ABCD15E18 -116.54 13.57 -7.76 -0.47 1
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400854 135049279 1 Si2O4N5C23H34 A2B4C5D23E34 -196.78 3.25 0.0 0.0 0
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400855 135049280 4 C4H5 A4B5 37.69 1.0 -8.95 -0.13 0
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400856 135049290 1 GeCo2O7C15H20 AB2C7D15E20 -352.75 37.68 -10.3 -5.98 0
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400857 135049291 1 SeN2O6C29H32 AB2C6D29E32 -121.87 4.08 -8.51 -0.55 0
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400858 135049293 1 GeC17H21 AB17C21 26.05 0.67 0.0 0.0 0
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400859 135049294 1 SCl2N2O5H22C23 AB2C2D5E22F23 -145.26 6.87 -9.13 -0.97 0
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400860 135049295 1 BSnC26H51 ABC26D51 -75.85 0.45 -8.48 0.65 0
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400861 135049296 1 NaVO10C14H20 ABC10D14E20 -286.39 26.14 -6.13 -2.41 0
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400862 135049297 1 PbN2O2C7H14 AB2C2D7E14 -10.82 0.81 -9.34 -0.48 1
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400863 135049298 1 PbN2O2C7H15 AB2C2D7E15 6.43 3.05 0.0 0.0 0
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400865 135049300 1 SiLi2N2C10F12H12 AB2C2D10E12F12 -711.43 10.29 -9.09 -0.49 0
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400866 135049301 1 SiN2C10F12H14 AB2C10D12E14 -703.45 4.11 -10.21 -0.04 0
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400867 135049302 1 BO3C14H19 AB3C14D19 -165.56 1.05 -9.4 0.2 0
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400868 135049304 1 N2P3C13O15H17 A2B3C13D15E17 -801.95 11.92 -10.67 -1.29 0
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400869 135049305 1 BBrPO2C20H37 ABCD2E20F37 -208.69 7.85 -9.19 -0.07 0
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400870 135049306 1 BNC2Cl3H7 ABC2D3E7 -140.58 8.22 -10.39 -0.41 -1
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400871 135049307 1 BNC2Cl3H6 ABC2D3E6 -108.89 8.34 0.0 0.0 0
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400872 135049308 2 LiN2C16H27 AB2C16D27 9.75 12.01 -6.98 1.66 0
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400873 135049309 1 BNCl3C6H15 ABC3D6E15 -163.7 8.79 -9.99 -0.19 -1
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400874 135049310 1 BNCl3C6H14 ABC3D6E14 -133.89 8.58 0.0 0.0 0
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400875 135049312 1 BClNO3C20H29 ABCD3E20F29 -165.5 6.65 -9.45 -0.28 0
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400876 135049313 1 BOC26H53 ABC26D53 -187.95 1.31 -9.22 0.99 0
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400877 135049314 1 BOC26H45 ABC26D45 -127.8 0.97 -9.15 0.08 0
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400878 135049315 1 BOSC31H59 ABCD31E59 -196.06 1.36 -8.71 0.28 0
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400879 135049319 1 BN2S2O6F12H31C42 AB2C2D6E12F31G42 -795.12 3.7 -9.31 -1.73 0
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400880 135049328 1 N2O4C23H30 A2B4C23D30 -161.24 2.69 -9.61 -0.02 0
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400881 135049329 1 BSnC17H33 ABC17D33 -34.05 0.62 -8.42 0.62 0
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400882 135049333 1 BC2H2Cl3 AB2C2D3 -57.58 2.23 -10.48 -1.02 0
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400883 135049334 1 BFNSi4C17H45 ABCD4E17F45 -284.01 1.34 -8.31 1.4 0
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400884 135049336 1 INO3H26C27 ABC3D26E27 -31.14 4.29 -8.74 -0.66 0
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400885 135049339 1 BOC29H51 ABC29D51 -144.64 1.41 -9.29 0.11 0
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400886 135049343 1 BN2S2O6F12H29C40 AB2C2D6E12F29G40 -805.49 2.92 -9.33 -1.72 0
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400887 135049344 1 BO3C23H39 AB3C23D39 -184.27 3.57 -8.65 0.31 0
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400888 135049345 1 BN2S2O6F12H43C44 AB2C2D6E12F43G44 -870.83 4.91 -8.75 -1.72 0
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400889 135049347 1 BSO2C35H59 ABC2D35E59 -192.39 2.57 -8.32 0.04 0
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400890 135049349 1 BOSC28H53 ABCD28E53 -177.77 2.81 -8.8 0.2 0
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400891 135049350 1 BClOSC28H52 ABCDE28F52 -186.84 3.43 -8.86 -0.07 0
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400893 135049354 1 SnO2C24H44 AB2C24D44 -113.83 1.83 -9.1 0.32 0
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400894 135049377 1 OSiSnC20H46 ABCD20E46 -164.12 1.6 -9.05 0.7 0
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400895 135049378 1 OSiSnC26H58 ABCD26E58 -182.98 1.62 -8.58 0.72 0
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400896 135049412 1 NSi2O7C46H81 AB2C7D46E81 -415.85 6.38 -8.39 -0.41 0
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400897 135049413 1 OSSiC19H32 ABCD19E32 -103.93 1.41 -8.58 0.0 0