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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409085 135081860 1 K2O3H6C8 A2B3C6D8 -126.96 16.14 -5.86 0.3 0
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409086 135081861 2 O8C60H79 A8B60C79 -420.6 4.66 -8.01 -0.68 1
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409087 135081862 1 NOPC6H6 ABCD6E6 -26.74 1.18 -8.59 0.0 0
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409088 135081863 1 OH2N2S2C3 AB2C2D2E3 41.89 0.66 -9.4 -2.28 0
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409089 135081864 1 NSbS2Cl6C14H20 ABC2D6E14F20 -94.51 16.42 -10.01 -3.65 0
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409090 135081865 1 N2S2O3C6H6 A2B2C3D6E6 -44.26 1.91 -9.49 -2.38 0
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409091 135081866 1 H5N5C8 A5B5C8 109.04 1.21 -9.18 -1.95 0
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409092 135081867 1 PC15H23 AB15C23 9.22 6.89 -6.74 1.11 0
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409095 135081870 1 PN3O3C30H34 AB3C3D30E34 -74.35 6.62 -8.06 -0.24 0
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409096 135081872 1 PO2C9H13 AB2C9D13 -97.24 2.64 -9.46 0.87 0
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409097 135081873 1 Cl4N6O8H10C15 A4B6C8D10E15 20.08 6.25 -10.18 -2.35 0
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409098 135081874 1 FN9C12O14H20 AB9C12D14E20 -60.62 7.98 -10.97 -2.83 0
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409099 135081875 1 FC9N9H14O14 AB9C9D14E14 -45.94 3.27 -11.29 -2.81 0
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409100 135081876 1 Cl2N6O8H16C17 A2B6C8D16E17 13.91 8.1 -10.17 -2.0 0
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409101 135081877 1 H10N10O12C17 A10B10C12D17 130.81 6.56 -11.41 -2.84 0
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409102 135081878 1 Cl2N8H10O12C15 A2B8C10D12E15 44.34 9.18 -10.97 -2.55 0
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409103 135081879 2 NOC5H8 ABC5D8 2.98 6.14 -9.32 -0.52 0
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409104 135081880 1 N8O12H16C17 A8B12C16D17 38.57 8.62 -10.75 -2.37 0
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409105 135081881 1 N2O2C15H16 A2B2C15D16 34.95 5.11 -9.3 -0.56 0
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409106 135081882 1 N2O2C15H16 A2B2C15D16 32.31 5.27 -9.39 -0.64 0
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409107 135081883 2 N4H5O6C7 A4B5C6D7 54.63 6.3 -11.0 -2.8 0
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409108 135081884 1 H10N10C15O16 A10B10C15D16 72.28 4.08 -11.08 -3.34 0
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409109 135081885 2 NOC8H9 ABC8D9 29.98 5.0 -9.11 -0.58 0
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409110 135081886 1 N2O2H14C15 A2B2C14D15 64.13 4.65 -9.18 -0.76 0
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409111 135081887 1 N3O4H11C13 A3B4C11D13 42.11 5.06 -9.72 -1.63 0
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409112 135081888 2 H15C26 A15B26 220.52 0.43 -8.34 -0.87 0
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409113 135081889 2 H13C23 A13B23 474.35 4.28 -8.05 -1.54 0
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409114 135081890 2 H13C23 A13B23 608.54 2.85 -8.31 -1.47 0
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409115 135081891 1 OH16C21 AB16C21 47.06 2.47 -8.38 -0.69 -1
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409116 135081892 1 FFeSO6H7C8 ABCD6E7F8 -195.29 3.47 -9.23 -0.3 -1
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409117 135081893 1 FFeSO6C9H9 ABCD6E9F9 -161.13 4.51 -8.67 -0.4 -1
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409118 135081894 1 FFeSO6C9H9 ABCD6E9F9 -197.72 5.56 -9.15 -0.08 0
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409119 135081895 3 C2H3 A2B3 36.28 0.65 0.0 0.0 0
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409120 135081896 1 FeC11H11 AB11C11 143.82 1.35 0.0 0.0 0
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409121 135081897 1 FeOC15H21 ABC15D21 152.43 0.77 0.0 0.0 0
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409122 135081898 1 FeO2C9H9 AB2C9D9 -20.74 7.52 0.0 0.0 0
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409124 135081900 1 NO3C20H22 AB3C20D22 -64.85 3.04 0.0 0.0 0
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409125 135081901 1 BrMgN3O3C8H12 ABC3D3E8F12 -179.49 4.84 -9.94 -1.0 0
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409126 135081902 1 N3O3C8H13 A3B3C8D13 -105.13 3.32 -9.85 -0.09 0
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409127 135081903 1 LiN3O3C8H12 AB3C3D8E12 -144.23 6.86 -9.13 0.38 0
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409128 135081904 1 NO2C17H23 AB2C17D23 -44.01 1.86 -8.41 -0.39 0
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409129 135081906 1 ClMgNSO5C12H16 ABCDE5F12G16 -222.81 7.67 -8.96 -1.2 0
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409130 135081907 1 NLi2O3H9C14 AB2C3D9E14 -115.31 2.81 -8.49 -0.38 0
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409131 135081908 1 N3O6C29H37 A3B6C29D37 -217.99 5.95 -8.44 -0.84 0
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409132 135081909 1 N2O6C29H42 A2B6C29D42 -207.04 2.76 -9.22 -0.4 0
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409133 135081910 1 LiO2C3H5 AB2C3D5 -76.53 3.34 -8.79 1.83 0
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409134 135081912 1 NSF2O6C16H29 ABC2D6E16F29 -385.67 3.35 -9.71 -0.55 0
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409135 135081913 1 ClSN2O6C21H39 ABC2D6E21F39 -301.03 5.17 -8.82 0.33 0
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409136 135081914 1 LiNH16C22 ABC16D22 113.93 9.37 -6.78 -0.28 0
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409137 135081916 1 NH15C17 AB15C17 77.25 2.39 -9.25 -0.3 0
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409138 135081917 1 NH19C23 AB19C23 101.0 2.25 -8.98 -0.55 0
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409139 135081918 1 NH7C13F14 AB7C13D14 -663.65 2.84 -10.7 -0.97 0
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409140 135081919 1 PO6H21C23 AB6C21D23 -208.22 4.26 -8.79 -0.87 0
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409141 135081920 1 NOSC23H23 ABCD23E23 26.59 1.78 -8.33 -0.98 -2
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409143 135081922 1 AuN2H13C20 AB2C13D20 235.88 5.82 -8.7 -1.98 -1
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409144 135081923 1 AuH10C16 AB10C16 261.7 1.13 0.0 0.0 0
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409145 135081924 1 AuOPH22C26 ABCD22E26 111.41 3.16 -8.28 -0.3 0
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409147 135081926 1 AuPF5H17C25 ABC5D17E25 -1.38 19.79 -7.33 -1.38 0
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409148 135081927 1 AsAuF5H17C25 ABC5D17E25 77.49 12.52 -8.18 -1.48 0
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409149 135081928 1 Au2P3C35H43 A2B3C35D43 132.16 3.08 -7.2 -1.22 0
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409150 135081929 1 P3C35H45 A3B35C45 69.49 1.31 -7.09 0.16 0
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409151 135081930 1 AuPH18C24 ABC18D24 166.88 9.55 -8.27 -1.16 -4
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409152 135081931 2 AuClC14H14 ABC14D14 118.36 6.73 -8.67 -1.6 0
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409153 135081932 1 IMgOC5F11 ABCD5E11 -592.93 11.36 -8.96 -2.76 0
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409154 135081933 1 O4N5C10H13 A4B5C10D13 -5.47 7.49 -10.25 -1.46 0
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409155 135081934 1 O4N5C9H9 A4B5C9D9 7.1 7.11 -10.26 -1.47 0
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409156 135081935 1 O10N15C50H79 A10B15C50D79 -482.19 6.05 -8.74 -0.18 0
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409157 135081936 1 O3C11H20 A3B11C20 -142.32 2.46 -9.81 1.77 0
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409158 135081937 1 O3C11H20 A3B11C20 -138.45 3.54 -9.88 1.87 0
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409159 135081938 1 BO2C13H23 AB2C13D23 -184.53 2.13 -8.93 1.62 0
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409160 135081939 1 NO3C17H23 AB3C17D23 -100.53 4.69 -8.37 0.1 0
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409161 135081940 1 SiO2C15H26 AB2C15D26 -132.37 1.83 -8.14 0.57 0
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409162 135081941 1 O3H14C16 A3B14C16 -70.0 7.88 -8.65 -1.41 0
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409163 135081942 1 NOCl2C12H13 ABC2D12E13 -24.14 3.53 -8.73 -0.3 0
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409164 135081943 1 ClO2N6H23C24 AB2C6D23E24 67.05 5.37 -9.06 -0.92 0
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409165 135081944 1 N2O4C15H18 A2B4C15D18 -119.48 6.41 -9.6 0.26 0
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409166 135081945 2 NO2C9H12 AB2C9D12 -143.74 5.39 -9.47 0.21 0
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409167 135081946 1 LiZrC29H55 ABC29D55 -96.92 6.24 -8.32 -1.26 0
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409168 135081947 1 N4C23H42 A4B23C42 -47.22 2.64 -8.24 2.98 0
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409169 135081948 4 NC8H8 AB8C8 132.69 1.32 -7.44 -1.29 0
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409170 135081949 2 N2H15C17 A2B15C17 161.44 2.37 -7.47 -1.39 0
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409171 135081950 1 PtSeI2C8H14 ABC2D8E14 80.67 3.0 -8.86 -3.75 0
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409172 135081951 1 PtSCl2C10H18 ABC2D10E18 77.49 1.52 -8.83 -2.79 0
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409173 135081952 1 BOC10H19 ABC10D19 -94.24 1.47 -9.75 0.94 0
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409174 135081953 1 BOC9H17 ABC9D17 -89.9 1.55 -9.45 1.08 0
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409175 135081954 1 BOC10H19 ABC10D19 -100.73 1.4 -9.47 1.01 0
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409176 135081955 1 BClSiC16H26 ABCD16E26 -76.14 3.97 -8.36 0.11 0
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409177 135081956 1 BOSiC17H29 ABCD17E29 -112.02 0.69 -8.0 0.67 0
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409178 135081957 1 BNSiC18H32 ABCD18E32 -63.41 1.89 -7.6 1.01 0
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409179 135081958 1 BSi3C30H45 AB3C30D45 -11.54 0.62 -8.5 0.21 0
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409180 135081959 1 BOC25H43 ABC25D43 -68.92 1.9 -9.24 0.58 0
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409181 135081960 2 BNC5H10 ABC5D10 -65.96 0.18 -7.84 2.05 1
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409182 135081961 1 OK2C11H20 AB2C11D20 -16.63 19.73 -5.2 -0.19 0
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409183 135081962 1 OC11H21 AB11C21 -53.88 1.78 0.0 0.0 1
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409184 135081963 1 KC6H9 AB6C9 17.83 9.46 -4.99 0.3 1
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409185 135081964 1 KC8H11 AB8C11 55.78 10.84 -4.86 0.14 0
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409186 135081965 1 KC13H19 AB13C19 -17.47 10.05 -5.51 0.03 1
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409187 135081966 1 KC3H5 AB3C5 27.16 9.45 -5.46 0.31 1
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409188 135081967 1 KC5H9 AB5C9 12.83 9.09 -5.53 0.34 1
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409189 135081968 1 KC6H11 AB6C11 10.0 9.18 -5.5 0.33 1