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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411045 135083854 1 PbS2C8H18 AB2C8D18 -65.11 1.05 -8.5 -0.97 0
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411046 135083855 1 N2O3C11H16 A2B3C11D16 -123.6 2.85 -9.46 -0.48 0
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411047 135083856 1 O5C11H18 A5B11C18 -230.67 2.82 -10.98 -0.4 0
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411048 135083857 1 ClOC13H13 ABC13D13 32.33 3.53 -9.39 -0.57 0
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411049 135083858 2 OC7H8 AB7C8 8.15 2.45 -9.4 -0.34 0
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411050 135083859 1 O3C14H26 A3B14C26 -176.54 2.59 -9.54 0.12 0
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411051 135083860 1 N2O2C13H16 A2B2C13D16 -28.12 6.98 -8.62 -0.91 1
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411052 135083861 1 N2O2C13H17 A2B2C13D17 -40.76 5.45 0.0 0.0 0
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411053 135083862 1 OSiC14H20 ABC14D20 -40.15 3.03 -8.63 -0.02 0
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411054 135083863 1 FN2C8H9 AB2C8D9 2.7 1.8 -8.74 -0.34 0
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411055 135083864 1 SN2O2C10H14 AB2C2D10E14 -37.87 5.21 -9.64 -0.76 0
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411056 135083865 1 ClON3C10H14 ABC3D10E14 -18.89 3.52 -7.85 0.0 0
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411057 135083867 1 BrNSO2C10H14 ABCD2E10F14 -84.26 4.11 -9.42 -0.74 1
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411058 135083868 1 NOC13H18 ABC13D18 -23.46 2.9 0.0 0.0 0
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411059 135083869 1 NOC10H15 ABC10D15 -3.37 2.6 -8.8 0.3 0
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411060 135083870 1 LiOC12H15 ABC12D15 -40.97 5.88 -8.85 0.66 0
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411061 135083871 1 BKF3H7C12 ABC3D7E12 -239.31 10.52 -8.45 -0.37 -1
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411062 135083872 1 BF3H7C12 AB3C7D12 -131.52 14.93 0.0 0.0 0
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411063 135083873 1 BKNO2F3H4C8 ABCD2E3F4G8 -269.17 17.8 -9.21 -0.84 -1
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411064 135083874 1 BNO2F3H4C8 ABC2D3E4F8 -138.55 7.99 0.0 0.0 0
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411065 135083875 1 NO3C5H5 AB3C5D5 -87.25 1.47 -10.57 -1.45 0
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411066 135083876 1 ON2S2C8H12 AB2C2D8E12 18.52 5.71 -8.14 -1.21 0
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411067 135083877 1 BrFO3H10C11 ABC3D10E11 -141.54 3.02 -10.08 -1.17 0
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411068 135083878 2 OC6H9 AB6C9 -58.66 2.27 -9.83 0.83 0
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411069 135083879 2 OC6H8 AB6C8 15.33 2.18 -9.48 0.69 0
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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