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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411070 135083880 1 OSiC15H30 ABC15D30 -111.27 1.33 -8.64 0.46 0
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411071 135083881 1 BrNOC13H14 ABCD13E14 15.17 5.09 -8.52 -0.26 0
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411072 135083882 1 ClZnC10H19 ABC10D19 -42.53 2.65 -9.45 -0.85 0
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411073 135083883 1 ON3C11H21 AB3C11D21 -23.29 1.79 -9.37 -0.39 1
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411074 135083884 1 ON3C11H22 AB3C11D22 -17.39 5.74 0.0 0.0 0
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411075 135083885 1 SO4C9H16 AB4C9D16 -185.61 5.19 -10.86 -0.71 0
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411076 135083886 1 O3C11H16 A3B11C16 -99.76 3.02 -9.88 -0.47 0
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411077 135083887 1 SSiO3C8H18 ABC3D8E18 -161.5 3.72 -9.64 0.21 0
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411078 135083888 1 O3C14H18 A3B14C18 -100.06 1.52 -9.27 0.22 0
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411079 135083889 1 OF3C11H11 AB3C11D11 -175.88 2.93 -10.25 -0.71 0
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411080 135083890 1 ClSN2C6H13 ABC2D6E13 -34.81 2.49 -9.42 -0.22 0
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411081 135083891 2 OC7H8 AB7C8 -62.21 3.38 -9.48 -0.3 0
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411082 135083892 1 SO2C10H10 AB2C10D10 -27.31 2.13 -8.9 -0.42 0
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411083 135083893 1 NOSC9H17 ABCD9E17 -20.5 2.82 -8.27 0.46 0
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411084 135083894 1 NO4C13H13 AB4C13D13 -41.19 6.94 -10.44 -1.77 0
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411085 135083895 1 BrNO2C13H16 ABC2D13E16 -76.77 2.64 -9.34 -0.56 0
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411086 135083896 2 O2C5H7 A2B5C7 -165.16 2.97 -9.37 0.21 0
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411087 135083897 1 NO3C7H11 AB3C7D11 -103.26 2.08 -10.07 -0.46 0
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411088 135083898 1 LiC6H9 AB6C9 43.14 4.66 -7.56 1.03 0
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411089 135083899 1 SeC16H24 AB16C24 0.35 1.5 -8.19 0.27 0
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411090 135083900 1 O3C13H18 A3B13C18 -89.41 3.0 -9.79 -0.32 0
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411091 135083901 1 NOSC11H23 ABCD11E23 -60.56 2.84 -8.28 0.48 0
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411092 135083902 1 OC16H18 AB16C18 34.54 2.93 -9.23 -0.27 0
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411093 135083903 2 C7H8 A7B8 49.58 1.64 -8.98 0.04 0
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411094 135083904 1 LiOC9H15 ABC9D15 -79.17 5.31 -7.6 2.58 0
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411095 135083905 1 OC9H16 AB9C16 -62.52 1.03 -8.87 1.37 0
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411096 135083906 1 STeC4H4 ABC4D4 32.33 2.4 -8.0 -1.47 0
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411097 135083907 1 SeTeC4H4 ABC4D4 62.45 1.87 -7.99 -2.0 0
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411098 135083908 1 LiOC9H15 ABC9D15 -74.46 5.3 -7.58 2.57 0
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411099 135083909 1 OC9H16 AB9C16 -58.76 1.05 -8.86 1.37 0
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411100 135083910 1 LiO3C23H33 AB3C23D33 -70.34 30.71 -4.82 -2.65 0
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411101 135083911 1 O3C23H34 A3B23C34 -125.43 1.05 -8.6 1.45 0
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411102 135083912 1 LiOC8H15 ABC8D15 -88.83 5.05 -7.73 2.54 0
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411103 135083913 1 OC8H16 AB8C16 -70.14 0.75 -9.03 1.28 0
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411104 135083914 1 LiOSiC18H29 ABCD18E29 -100.87 5.72 -7.44 0.7 0
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411105 135083915 1 OSiC18H30 ABC18D30 -84.64 0.59 -8.39 0.28 0
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411106 135083916 1 AlLi3O6H36C60 AB3C6D36E60 -145.11 9.37 -7.58 -2.16 0
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411107 135083917 1 AlO6H39C60 AB6C39D60 -106.99 4.87 -8.3 -1.24 0
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411108 135083918 1 AlNa3O6H36C60 AB3C6D36E60 -66.96 6.56 -4.72 -1.7 0
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411109 135083919 1 AlK3O6H36C60 AB3C6D36E60 -149.64 6.74 -5.06 -1.05 0
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411110 135083920 1 LaLi3O6Si6C78H87 AB3C6D6E78F87 -342.77 13.09 0.0 0.0 0
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411111 135083921 1 LaNa3O6Si6C78H87 AB3C6D6E78F87 -344.28 26.21 0.0 0.0 0
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411114 135083924 1 AlO6Si6C78H87 AB6C6D78E87 -354.56 6.84 -7.86 -0.94 0
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411115 135083925 1 AlNa3O6Si6C78H84 AB3C6D6E78F84 -309.51 5.09 -4.07 -1.03 0
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411116 135083926 1 AlK3O6Si6C78H84 AB3C6D6E78F84 -219.81 15.48 -5.41 -1.6 0
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411118 135083928 1 AlLi3O6Si6C108H120 AB3C6D6E108F120 -288.66 19.81 -7.49 -2.24 0
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411119 135083929 1 AlO6Si6C108H123 AB6C6D108E123 -197.86 4.27 -7.91 -0.9 0
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411120 135083930 1 AlNa3O6Si6C108H120 AB3C6D6E108F120 -221.1 11.18 -4.51 -1.47 0
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411121 135083931 1 AlK3O6Si6C108H120 AB3C6D6E108F120 -179.62 71.32 -3.33 -2.99 0
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411122 135083932 1 OPC4H5 ABC4D5 -11.53 1.53 -8.51 0.4 0
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411123 135083933 1 BrMgN2O2C18H31 ABC2D2E18F31 -209.37 10.36 -9.68 -0.25 0
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411124 135083934 2 NOC9H16 ABC9D16 -125.2 5.04 -9.59 0.57 0
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411125 135083935 1 BrMgN3O3C18H30 ABC3D3E18F30 -189.84 8.69 -8.89 -1.62 0
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411126 135083936 1 N3O3C18H31 A3B3C18D31 -141.4 5.21 -9.21 0.13 0
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411127 135083937 1 BrMgN2O2C20H27 ABC2D2E20F27 -66.39 7.45 -9.12 -1.35 0
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411128 135083938 2 NOC10H14 ABC10D14 -82.64 7.22 -9.46 -0.57 0
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411129 135083939 1 AlS2N3O4Cl6C20H30 AB2C3D4E6F20G30 -218.86 12.9 -9.54 -0.65 0
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411131 135083941 1 NOC9H10 ABC9D10 26.61 1.05 0.0 0.0 0
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411132 135083942 1 NOSiC12H18 ABCD12E18 -15.35 0.92 0.0 0.0 0
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411134 135083944 1 LiS3C10H21 AB3C10D21 -46.36 8.07 -7.18 1.24 0
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411135 135083945 1 LiS3H21C22 AB3C21D22 48.55 8.61 -7.44 -0.39 0
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411136 135083946 2 O3H11C14 A3B11C14 26.59 2.84 -7.34 -1.25 0
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411137 135083947 1 OPC16H27 ABC16D27 -34.48 1.6 -8.12 0.9 0
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411138 135083948 1 N7O7C27H37 A7B7C27D37 -229.87 9.2 -8.9 -0.73 0
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411139 135083949 1 N2S2O7C24H32 A2B2C7D24E32 -238.26 12.08 -8.57 -0.74 0
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411140 135083950 1 LiS3C10H11 AB3C10D11 16.89 8.57 -7.29 0.82 -1
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411141 135083951 1 HNC2O2F3 ABC2D2E3 -119.12 1.98 0.0 0.0 0
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411142 135083952 1 OPC18H31 ABC18D31 -44.09 1.83 -8.13 0.89 0
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411143 135083953 1 OSC5H8 ABC5D8 16.05 2.5 -8.18 0.51 0
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411144 135083954 1 NSLi2O2H5C7 ABC2D2E5F7 -24.2 2.65 -7.01 0.04 -1
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411145 135083955 1 NSO2H6C7 ABC2D6E7 46.23 5.0 0.0 0.0 0
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411146 135083956 1 NSLi2O4H5C7 ABC2D4E5F7 -136.96 4.05 -9.16 -0.31 -1
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411147 135083957 1 NSO4H6C7 ABC4D6E7 -14.02 5.1 0.0 0.0 0
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411148 135083958 1 LiNH20C22 ABC20D22 119.0 6.58 -7.47 -0.25 0
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411149 135083959 1 NO4C10H11 AB4C10D11 -94.7 2.63 -8.54 -0.23 0
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411150 135083960 1 OSH8C9 ABC8D9 51.41 2.9 -8.22 0.03 0
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411151 135083961 1 OSC6H10 ABC6D10 8.53 2.98 -8.11 0.59 0
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411152 135083962 1 OSC7H12 ABC7D12 3.78 3.0 -8.11 0.58 0
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411153 135083963 1 OPH9F10C18 ABC9D10E18 -392.91 5.14 -9.44 -1.24 0
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411154 135083964 1 NO2C18H33 AB2C18D33 -94.19 3.69 -8.55 1.35 0
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411155 135083965 1 NOPC29H34 ABCD29E34 3.08 4.74 -8.42 -0.16 0
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411156 135083966 1 FeP2O4C28H40 AB2C4D28E40 -153.76 5.43 -7.78 -0.71 0
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411157 135083967 1 PO2C14H20 AB2C14D20 -71.28 0.38 0.0 0.0 0
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411158 135083969 1 PH16C19 AB16C19 82.91 0.76 0.0 0.0 0
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411159 135083970 2 C25H26 A25B26 66.14 0.8 -8.29 0.51 0
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411160 135083971 1 OH38C43 AB38C43 99.83 1.82 -8.58 0.16 0
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411161 135083972 1 PO3C7H13 AB3C7D13 -96.78 1.83 -8.8 0.46 0
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411162 135083973 1 NP2F9H10C11 AB2C9D10E11 -484.37 3.02 -8.61 -1.58 0
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411163 135083974 1 NP2F9C18H22 AB2C9D18E22 -515.7 2.68 -8.21 -1.58 0
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411164 135083975 1 NP2F9C24H28 AB2C9D24E28 -493.55 1.68 -8.75 -1.72 0
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411165 135083976 1 FeP3C50H53 AB3C50D53 114.59 10.99 -6.77 -0.75 0
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411166 135083977 1 PC17H22 AB17C22 37.16 0.91 0.0 0.0 0
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411167 135083978 6 H6C7 A6B7 147.27 0.09 -8.5 0.3 0
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411168 135083979 1 NOPC25H26 ABCD25E26 20.19 1.8 -8.51 -0.06 0
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411169 135083980 1 NTeC4H5 ABC4D5 39.79 1.39 -8.08 -0.4 0
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411170 135083981 1 NSeC4H5 ABC4D5 34.46 2.56 -7.37 0.52 0
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411171 135083982 1 NTeC4H5 ABC4D5 32.68 3.83 -7.15 0.26 0
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411172 135083983 1 OSC10H10 ABC10D10 44.2 3.33 -8.17 0.03 0
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411173 135083984 1 OSC8H14 ABC8D14 -10.9 3.5 -7.93 0.77 0
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411174 135083985 1 P3C13H32 A3B13C32 -84.59 2.47 0.0 0.0 0