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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386073 134980703 1 OC9H16 AB9C16 -78.12 1.81 -10.14 2.95 0
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386074 134980704 1 ClO2C8H13 AB2C8D13 -114.21 4.42 -10.08 0.23 0
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386075 134980707 2 OH11C13 AB11C13 104.13 3.02 -8.89 -0.5 0
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386076 134980709 1 O2C9H14 A2B9C14 -85.26 1.85 -9.44 0.81 0
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386077 134980710 1 F2O3C21H34 A2B3C21D34 -258.41 6.34 -9.35 -0.62 0
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386078 134980713 1 NO2C13H21 AB2C13D21 -88.45 2.86 -8.82 1.02 0
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386079 134980715 1 NO4C13H21 AB4C13D21 -129.99 3.7 -9.34 -0.34 0
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386080 134980717 2 NC10H12 AB10C12 66.45 5.16 -9.53 0.1 0
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386081 134980720 2 O4C9H11 A4B9C11 -296.12 1.59 -9.65 -0.62 0
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386082 134980722 2 OC6H9 AB6C9 -108.53 5.39 -9.68 0.87 0
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386083 134980737 2 OC13H13 AB13C13 8.74 3.58 -9.23 -0.66 0
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386084 134980738 1 O2C19H20 A2B19C20 -13.69 3.16 -9.28 -0.62 0
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386085 134980739 1 O2C11H14 A2B11C14 -24.6 4.79 -10.07 0.69 0
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386086 134980740 1 N2O2C25H28 A2B2C25D28 -16.43 3.64 -8.66 -0.16 0
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386087 134980741 3 OC5H6 AB5C6 -102.2 2.26 -8.76 0.2 0
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386088 134980743 2 O3C10H12 A3B10C12 -252.44 2.22 -9.49 0.04 0
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386089 134980745 2 O2H7C8 A2B7C8 -107.2 4.65 -9.94 -0.71 0
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386090 134980747 1 OF3C15H15 AB3C15D15 -178.77 2.75 -9.43 -0.72 0
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386091 134980755 1 O2C21H30 A2B21C30 -47.49 6.61 -7.9 -1.1 0
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386092 134980758 1 NO2C19H23 AB2C19D23 -47.27 2.59 -9.62 -0.71 0
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386093 134980765 2 H11C12 A11B12 74.6 0.46 -9.1 0.39 0
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386094 134980767 1 H20C23 A20B23 84.15 0.71 -9.04 0.28 0
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386095 134980768 1 O3C25H32 A3B25C32 -109.01 2.87 -8.23 0.71 0
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386096 134980773 1 Si2C29H38 A2B29C38 51.86 1.1 -8.93 0.48 0
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386097 134980774 2 SH11C14 AB11C14 112.68 4.05 -8.07 -1.16 0
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386098 134980775 2 C5H7 A5B7 40.42 0.51 -9.62 1.34 0
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386100 134980780 2 C5H7 A5B7 36.87 0.65 -9.87 1.22 0
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386101 134980782 1 C13H24 A13B24 -27.97 0.16 -8.8 0.78 0
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386102 134980784 3 H8C9 A8B9 155.29 0.44 -8.78 -0.31 0
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386103 134980785 1 ClO4C11H17 AB4C11D17 -202.62 3.6 -10.64 -0.12 0
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386104 134980786 1 O4C11H16 A4B11C16 -188.67 1.49 -10.22 0.31 0
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386105 134980787 1 OC11H18 AB11C18 -60.21 1.7 -9.46 1.0 0
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386106 134980793 1 Si2O4C33H62 A2B4C33D62 -313.94 3.95 -8.73 0.15 0
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386107 134980796 2 OSiC17H25 ABC17D25 -161.85 2.31 -8.89 0.22 0
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386108 134980798 1 SiO3C33H44 AB3C33D44 -153.5 2.01 -8.71 0.08 0
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386109 134980799 2 OC3H5 AB3C5 -52.47 2.26 -8.79 0.32 0
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386110 134980804 1 NO2C17H27 AB2C17D27 -102.31 1.68 -8.64 0.74 0
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386111 134980809 1 NO2C12H19 AB2C12D19 -88.09 2.55 -8.8 1.02 0
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386112 134980810 1 NO2C13H21 AB2C13D21 -93.59 3.36 -8.81 1.01 0
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386113 134980813 1 C9H14 A9B14 24.56 0.63 -9.35 1.23 0
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386114 134980815 1 SN2O7C16H22 AB2C7D16E22 -220.19 1.4 -9.96 -0.92 0
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386115 134980816 1 OC10H16 AB10C16 -50.78 2.91 -9.67 0.8 0
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386116 134980817 1 SiO4C15H26 AB4C15D26 -238.0 4.12 -9.13 0.13 0
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386117 134980818 1 OSiC15H20 ABC15D20 -54.73 1.23 -9.16 0.43 0
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386118 134980820 1 O2C9H16 A2B9C16 -104.34 0.94 -9.79 1.07 0
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386119 134980825 1 SO3C16H18 AB3C16D18 -98.53 3.15 -8.44 -0.01 0
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386121 134980830 2 OC11H13 AB11C13 -31.44 2.21 -9.54 -0.55 0
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386122 134980835 1 NO2C20H27 AB2C20D27 -64.96 1.58 -8.44 0.35 0
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386123 134980842 1 BO2C17H23 AB2C17D23 -131.82 3.28 -9.36 0.38 0
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386124 134980843 2 NO2C12H16 AB2C12D16 -126.54 4.05 -9.22 0.16 0
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386125 134980848 1 NO4C14H23 AB4C14D23 -181.83 6.02 -9.82 0.43 0
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386126 134980850 1 AlC18H31 AB18C31 -61.13 1.18 -8.46 0.69 0
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386128 134980853 1 O3C13H16 A3B13C16 -119.26 3.8 -9.36 -0.57 0
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386129 134980854 1 ClHgO3C12H13 ABC3D12E13 -90.18 4.34 -9.15 -0.6 0
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386130 134980855 1 OC16H28 AB16C28 -67.11 2.02 -9.85 1.96 0
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386131 134980859 2 AgAsC6H14 ABC6D14 -5.64 12.77 -9.58 -4.09 0
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386132 134980860 1 AsC6H15 AB6C15 45.09 3.68 -6.88 1.17 0
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386133 134980864 1 OSiC15H32 ABC15D32 -101.56 2.68 -9.16 1.21 0
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386135 134980874 1 O2C13H20 A2B13C20 -85.69 0.82 -8.64 0.63 0
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386136 134980875 1 O2C7H12 A2B7C12 -92.87 2.72 -9.93 2.1 0
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386137 134980877 1 CrNSiO5C18H25 ABCD5E18F25 -101.14 2.96 -8.54 -0.56 -1
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386139 134980880 1 ReH4O4C5 AB4C4D5 -51.97 1.36 0.0 0.0 0
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386140 134980884 1 CrNO5C31H37 ABC5D31E37 -50.61 5.44 -8.21 -0.35 0
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386141 134980890 1 ORhC12H15 ABC12D15 72.8 6.84 -8.91 -3.32 0
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386142 134980891 1 RhC11H13 AB11C13 98.67 3.33 -9.16 -3.42 0
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386143 134980892 1 RhC13H13 AB13C13 154.89 5.24 -8.97 -3.45 1
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386144 134980895 1 FeNO3H6C9 ABC3D6E9 128.06 2.33 0.0 0.0 0
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386145 134980896 1 ORuC13H16 ABC13D16 45.78 3.93 -7.82 -2.17 -1
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386146 134980899 1 NWO5C6 ABC5D6 -77.96 6.06 0.0 0.0 0
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386147 134980909 1 VO4H7C13 AB4C7D13 23.1 2.57 -7.27 -0.96 0
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386148 134980913 4 C3H5 A3B5 5.3 1.18 -9.25 0.68 0
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386149 134980914 2 OC6H11 AB6C11 -95.16 1.04 -9.39 0.84 0
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386150 134980916 1 BrNOC13H20 ABCD13E20 -53.23 6.54 -10.18 -0.11 0
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386151 134980920 1 OSiC13H19 ABC13D19 -34.9 0.79 0.0 0.0 0
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386154 134980927 1 O3C14H22 A3B14C22 -141.11 3.11 -9.72 0.74 0
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386155 134980930 1 SiC13H24 AB13C24 -37.02 1.19 -9.07 0.75 0
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386156 134980932 1 NOC12H17 ABC12D17 -36.08 3.1 -9.44 0.08 0
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386157 134980933 1 C13H14 A13B14 40.95 0.94 -8.7 0.22 -3
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386158 134980934 1 OPtC10H16 ABC10D16 83.55 3.12 -9.26 -2.34 0
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386159 134980938 1 CrNSO6H17C20 ABCD6E17F20 60.78 8.11 -7.59 -0.33 0
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386160 134980939 1 NSO3C17H17 ABC3D17E17 -65.82 5.15 -9.34 -0.42 -1
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386162 134980941 1 IrO3C12H21 AB3C12D21 -138.76 33.78 -9.36 -4.44 0
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386163 134980945 1 OC9H12 AB9C12 -40.97 4.28 -9.69 0.1 0
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386164 134980947 1 MnO2C15H17 AB2C15D17 103.26 3.24 -7.17 -0.37 0
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386165 134980956 1 O2C9H14 A2B9C14 -89.44 2.96 -9.68 0.34 0
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386166 134980961 1 SiC12H15 AB12C15 20.15 0.99 0.0 0.0 0
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386168 134980966 1 ClHgC9H15 ABC9D15 -16.97 4.11 -9.56 -0.71 0
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386169 134980968 1 C11H20 A11B20 -12.38 0.4 -9.22 1.27 0
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386170 134980969 1 ZrC8H14 AB8C14 21.63 0.6 -6.46 -0.9 0
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386173 134980973 1 ZnC8H14 AB8C14 43.15 0.26 -9.35 -1.65 0
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386174 134980978 1 SSiO2C13H18 ABC2D13E18 -86.1 6.14 -9.29 0.18 0
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386175 134980979 1 OSiC14H24 ABC14D24 -88.68 3.55 -9.68 0.74 0
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386176 134980984 1 PPtCl2C13H27 ABC2D13E27 10.56 2.62 -8.57 -2.3 0
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386177 134980986 1 O2C9H14 A2B9C14 -86.78 3.53 -9.85 0.59 0
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386178 134980991 1 O2C13H20 A2B13C20 -31.68 1.56 -7.74 0.0 0
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386179 134980995 1 TcO3C14H17 AB3C14D17 -32.38 4.39 -8.05 -0.85 0
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386181 134981010 2 OC8H13 AB8C13 -108.67 2.22 -9.05 0.64 0
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386183 134981012 1 MoBr3C6H11 AB3C6D11 -24.53 1.59 -8.34 0.13 0
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386184 134981013 1 MoO2C14H20 AB2C14D20 102.63 6.72 -7.41 1.14 0
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386185 134981015 1 MoNO3H7C11 ABC3D7E11 156.6 4.24 -6.43 0.46 0