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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221086 85256774 1 ClNO2H12C15 ABC2D12E15 -25.44 2.72 -8.98 -0.58 0
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221087 85256777 1 N2O3C15H18 A2B3C15D18 -94.17 5.2 -9.64 0.02 0
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221088 85256778 1 N2O3C15H18 A2B3C15D18 -82.7 5.35 -8.46 -0.34 0
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221089 85256779 1 N2O3C15H18 A2B3C15D18 -116.11 4.85 -9.71 -0.19 0
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221091 85256784 1 OH18C20 AB18C20 11.33 1.61 -8.8 -0.51 0
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221092 85256785 1 OH18C20 AB18C20 34.9 3.76 -8.82 -0.63 0
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221093 85256786 2 NOC8H11 ABC8D11 -63.67 6.76 -9.52 -0.34 0
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221094 85256789 2 OC9H13 AB9C13 -79.36 2.45 -8.72 1.1 0
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221096 85256792 1 SiO4C13H26 AB4C13D26 -240.32 1.28 -8.8 -0.03 0
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221097 85256793 1 FOSiC15H31 ABCD15E31 -188.93 1.75 -8.65 0.87 1
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221098 85256796 1 N2C16H19 A2B16C19 67.03 2.18 0.0 0.0 0
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221099 85256805 1 N5H13C16 A5B13C16 138.86 2.7 -8.94 -0.71 0
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221100 85256809 1 OSN3C14H17 ABC3D14E17 21.45 7.85 -9.22 -0.97 0
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221101 85256815 2 NO3H4C6 AB3C4D6 -96.94 5.08 -10.26 -2.7 0
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221102 85256817 1 O7C12H20 A7B12C20 -290.99 2.73 -10.21 -1.37 0
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221103 85256819 1 N2O2H12C17 A2B2C12D17 39.45 4.18 -9.25 -1.52 0
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221104 85256820 4 OC4H5 AB4C5 -174.33 4.83 -9.49 0.27 0
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221105 85256828 1 OC19H32 AB19C32 -66.65 2.3 -9.24 1.08 0
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221106 85256831 1 N3O5H11C12 A3B5C11D12 -53.58 4.55 -10.21 -2.84 0
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221107 85256833 1 NO5C14H15 AB5C14D15 -190.02 2.54 -9.89 -0.25 0
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221108 85256839 1 NO3C16H23 AB3C16D23 -123.29 2.37 -9.81 0.02 0
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221109 85256842 1 NO2C17H27 AB2C17D27 -109.34 2.85 -10.49 0.6 0
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221110 85256855 1 O3C17H26 A3B17C26 -158.45 3.13 -9.29 0.66 0
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221112 85256859 1 SiO2C16H26 AB2C16D26 -105.96 3.11 -9.01 0.42 0
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221113 85256863 1 NO5C14H17 AB5C14D17 -146.55 4.52 -8.4 -0.41 0
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221114 85256865 1 O3N5C12H17 A3B5C12D17 -88.76 3.76 -9.1 -0.54 1
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221115 85256872 1 O2N5C13H22 A2B5C13D22 -61.36 4.13 0.0 0.0 0
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221116 85256873 1 NOSH13C17 ABCD13E17 71.35 1.38 -8.56 -0.96 0
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221117 85256874 1 NO3C16H25 AB3C16D25 -138.2 1.12 -9.24 0.3 0
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221118 85256875 1 NO3C16H25 AB3C16D25 -154.15 3.42 -9.29 0.88 0
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221119 85256882 2 O3C7H8 A3B7C8 -236.46 2.29 -9.07 -0.04 0
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221120 85256886 5 OC3H4 AB3C4 -201.11 4.47 -9.6 -0.01 0
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221121 85256887 5 OC3H4 AB3C4 -203.01 4.51 -9.58 0.15 0
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221122 85256914 1 NO3H15C17 AB3C15D17 -66.83 12.13 -9.25 -1.23 0
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221123 85256915 1 O2N3H15C16 A2B3C15D16 -39.56 2.0 -8.77 -0.62 0
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221124 85256916 1 O2N3H15C16 A2B3C15D16 8.03 9.96 -8.49 -0.88 0
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221126 85256925 1 SO2N3C13H19 AB2C3D13E19 -55.48 1.29 -8.79 -0.98 0
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221127 85256929 1 NSiC17H35 ABC17D35 -64.78 1.6 -8.12 0.82 0
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221128 85256931 1 Br2C9H14 A2B9C14 -12.53 3.74 -9.94 -0.47 0
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221131 85256945 1 O2C19H22 A2B19C22 -34.64 2.58 -9.36 0.13 0
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221132 85256946 1 N2O3C15H26 A2B3C15D26 -131.86 2.09 -9.39 0.51 0
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221133 85256948 1 SO3C15H22 AB3C15D22 -92.69 3.85 -8.29 0.34 0
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221134 85256951 1 OSiC18H22 ABC18D22 -51.47 1.6 -9.2 0.17 0
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221136 85256962 1 NSO4C13H17 ABC4D13E17 -101.29 2.85 -8.76 -0.75 0
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221137 85256976 1 ON4C16H24 AB4C16D24 -2.23 4.52 -8.59 0.16 0
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221138 85256983 2 OC9H18 AB9C18 -167.61 2.14 -9.63 2.13 0
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221139 85256984 1 SiO2C16H32 AB2C16D32 -172.33 2.06 -8.8 0.73 0
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221140 85256985 1 SiO2C16H32 AB2C16D32 -170.76 3.44 -9.13 0.61 0
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221141 85256986 1 ClO4C14H17 AB4C14D17 -142.13 1.8 -9.74 -0.17 0
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221142 85256991 1 NO5C14H23 AB5C14D23 -234.6 5.48 -10.33 -1.29 0
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221143 85256992 1 NO3C17H19 AB3C17D19 -76.25 7.5 -9.88 -0.66 0
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221144 85256993 1 NO3C17H19 AB3C17D19 5.06 2.9 -9.19 -0.33 0
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221145 85256996 1 NO2C18H23 AB2C18D23 -46.94 5.61 -9.2 0.48 0
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221146 85257009 1 FSH5N6C12 ABC5D6E12 174.41 1.76 -9.92 -3.52 0
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221147 85257013 1 N2O5C13H22 A2B5C13D22 -221.61 2.49 -9.84 0.29 0
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221148 85257024 1 O2C19H26 A2B19C26 -69.08 1.91 -9.2 0.32 0
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221149 85257033 1 SCl2O3N4C6H8 AB2C3D4E6F8 -64.96 3.91 -9.8 -1.45 0
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221150 85257037 1 NO2F3C14H16 AB2C3D14E16 -221.01 1.52 -9.38 -0.54 0
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221151 85257046 1 NO2C18H25 AB2C18D25 -66.64 3.44 -9.35 0.18 0
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221152 85257047 1 NO2C18H25 AB2C18D25 -90.28 2.61 -9.14 0.04 0
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221153 85257052 1 Cl2N3O3H5C10 A2B3C3D5E10 -29.32 4.32 -9.74 -3.13 0
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221154 85257059 2 O3C7H12 A3B7C12 -281.8 0.72 -10.1 0.68 0
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221155 85257062 1 O4C17H20 A4B17C20 -144.71 1.74 -10.12 -0.74 0
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221156 85257064 1 N2O3C16H20 A2B3C16D20 -82.2 3.4 -9.47 0.11 0
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221157 85257065 1 O2N4C15H20 A2B4C15D20 -5.05 8.25 -9.73 -1.35 0
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221158 85257067 1 SN2O2C15H20 AB2C2D15E20 -11.46 6.35 -9.2 -0.31 0
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221159 85257071 3 OC6H8 AB6C8 -123.09 2.8 -9.2 0.33 0
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221160 85257082 1 ClO2C17H17 AB2C17D17 -32.52 3.61 -8.47 -0.32 0
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221161 85257083 1 ClON2C16H17 ABC2D16E17 11.67 2.5 -8.5 -0.96 1
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221162 85257084 1 ON2C16H17 AB2C16D17 34.87 4.0 0.0 0.0 0
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221163 85257095 1 SO2N3C14H15 AB2C3D14E15 -18.03 8.31 -9.29 -1.68 0
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221164 85257100 1 NOSC17H23 ABCD17E23 -37.97 2.54 -8.83 0.19 0
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221165 85257104 1 N2O5C14H14 A2B5C14D14 -157.58 2.49 -9.66 -0.71 0
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221166 85257106 2 NOH7C9 ABC7D9 7.83 2.42 -8.82 -1.69 0
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221167 85257107 2 NOH7C9 ABC7D9 18.17 5.08 -9.26 -1.15 0