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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3037 9075 1 ClNC8H12 ABC8D12 -17.11 2.81 -9.54 0.0 0
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3038 9078 1 SN2O4C9H16 AB2C4D9E16 -153.13 4.22 -9.35 -0.27 0
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3039 9079 1 N2C9H14 A2B9C14 24.74 0.85 -8.6 0.4 0
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3040 9080 1 NaO2C4H7 AB2C4D7 -141.98 5.62 -9.56 0.46 0
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3041 9081 1 NO2C7H11 AB2C7D11 -52.69 3.38 -10.03 0.35 0
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3042 9082 1 ClNSC2H8 ABCD2E8 -36.28 2.86 -8.97 0.56 0
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3043 9083 1 S2C3O6H8 A2B3C6D8 -267.22 6.46 -11.49 -0.17 0
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3044 9084 1 H2C3O4 A2B3C4 -120.45 2.82 -11.21 -0.04 -2
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3045 9085 1 O2N4C7H16 A2B4C7D16 -86.4 6.9 -9.61 0.81 0
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3046 9086 1 NOC3H9 ABC3D9 -55.73 3.8 -9.71 3.05 0
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3047 9088 1 C5H8 A5B8 33.21 0.0 -11.03 2.64 0
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3048 9089 1 O2C5H8 A2B5C8 -49.84 0.0 -10.1 1.45 0
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3049 9090 1 S2C7H12 A2B7C12 -15.37 0.59 -8.81 0.11 0
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3050 9091 2 SC4H7 AB4C7 -22.72 3.68 -8.22 -0.9 0
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3051 9092 1 NC9H17 AB9C17 -28.04 1.67 -8.82 3.14 0
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3052 9093 2 OC4H7 AB4C7 -108.85 0.95 -9.68 1.73 0
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3053 9094 1 OSC8H14 ABC8D14 -68.91 1.02 -8.76 0.37 0
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3054 9095 4 OSiC4H8 ABC4D8 -429.37 1.55 -8.66 0.36 0
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3055 9096 1 O2C9H16 A2B9C16 -114.99 2.16 -9.76 2.01 0
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3056 9097 2 C6H11 A6B11 -43.75 0.06 -10.25 4.06 0
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3057 9098 1 OSC9H16 ABC9D16 -67.78 1.47 -8.8 0.32 0
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3058 9099 1 S2C9H16 A2B9C16 -22.7 0.74 -8.74 0.18 0
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3059 9100 1 OC7H12 AB7C12 -35.32 2.78 -9.99 2.28 0
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3060 9101 1 C5H8 A5B8 80.85 0.93 -6.38 -0.76 0
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3061 9102 1 C7H10 A7B10 32.62 0.31 -10.06 2.22 0
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3062 9103 2 H7C13 A7B13 101.21 0.0 -7.87 -1.53 0
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3063 9104 2 H9C16 A9B16 131.68 0.11 -8.02 -1.43 0
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3064 9105 2 H9C16 A9B16 136.99 0.07 -7.72 -1.74 0
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3065 9106 2 H7C12 A7B12 94.38 0.03 -8.14 -1.25 0
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3066 9107 2 NH6C11 AB6C11 126.04 3.58 -8.54 -1.66 0
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3067 9111 2 H7C12 A7B12 93.04 0.02 -8.17 -1.23 0
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3068 9112 1 NH15C27 AB15C27 264.89 4.06 -8.0 -1.84 0
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3069 9113 2 H11C21 A11B21 178.37 0.02 -7.67 -1.83 0
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3070 9114 14 HC2 AB2 98.22 0.06 -8.2 -1.21 0
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3071 9116 4 H4C7 A4B7 121.74 0.09 -8.13 -1.23 0
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3072 9117 2 H6C11 A6B11 114.04 0.1 -8.33 -1.12 0
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3073 9119 2 H7C12 A7B12 97.95 0.04 -8.17 -1.19 0
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3074 9122 2 H7C12 A7B12 89.14 0.0 -8.42 -0.93 0
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3075 9123 2 H9C16 A9B16 123.61 0.01 -8.41 -1.03 0
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3076 9126 2 H7C12 A7B12 91.66 0.03 -8.23 -1.14 0
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3077 9127 4 H4C7 A4B7 110.59 0.04 -8.07 -1.35 0
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3078 9128 4 H3C5 A3B5 74.98 0.04 -8.39 -0.96 0
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3079 9129 2 H7C12 A7B12 91.99 0.07 -8.44 -0.93 0
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3080 9130 4 H4C7 A4B7 111.84 0.09 -8.2 -1.25 0
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3081 9131 2 H6C11 A6B11 99.58 0.25 -8.34 -1.34 0
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3082 9132 1 NH9C15 AB9C15 71.97 2.72 -8.58 -1.29 0
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3083 9133 1 NH9C15 AB9C15 72.7 2.54 -8.64 -1.24 0
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3084 9134 1 NH13C20 AB13C20 88.76 1.89 -8.16 -0.68 0
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3085 9135 2 H7C11 A7B11 126.28 0.07 -8.35 -1.34 0
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3086 9138 4 H4C7 A4B7 252.79 1.48 -7.99 -1.38 0
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3087 9139 2 H9C16 A9B16 140.4 0.09 -7.72 -1.73 0
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3088 9140 2 H7C11 A7B11 89.8 0.02 -8.44 -0.86 0
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3089 9141 1 NH13C21 AB13C21 99.5 1.95 -8.58 -1.02 0
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3090 9142 4 H3C5 A3B5 79.58 0.01 -8.12 -1.23 0
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3091 9145 2 H7C12 A7B12 109.65 0.22 -8.37 -1.33 0
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3092 9147 5 H2C3 A2B3 64.87 0.57 -8.73 -0.51 0
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3093 9148 1 NH9C14 AB9C14 75.63 1.04 -8.16 -0.73 0
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3094 9149 1 H10C13 A10B13 46.99 1.18 -8.33 -0.47 0
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3095 9150 1 H12C17 A12B17 65.2 0.64 -8.41 -0.7 0
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3096 9151 1 SH10C16 AB10C16 68.61 1.14 -8.44 -0.94 0
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3097 9152 4 H3C5 A3B5 94.63 0.11 -8.52 -1.23 0
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3098 9153 4 H3C5 A3B5 89.8 0.12 -8.7 -1.02 0
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3099 9154 2 H5C8 A5B8 76.72 0.1 -8.79 -0.99 0
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3100 9155 1 NH9C15 AB9C15 87.85 2.08 -9.05 -1.21 0
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3101 9156 1 NH9C15 AB9C15 89.13 2.73 -9.14 -1.26 0
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3102 9158 4 H3C5 A3B5 91.31 0.08 -8.53 -0.97 0
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3103 9159 7 H2C3 A2B3 82.23 0.65 -8.28 -0.78 0
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3104 9161 4 H2C3 A2B3 70.38 0.22 -9.1 -1.0 0
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3105 9162 2 H7C11 A7B11 85.0 0.06 -8.55 -0.8 0
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3106 9163 2 H7C11 A7B11 88.52 0.02 -8.28 -1.09 0
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3107 9164 2 H7C11 A7B11 86.01 0.01 -8.45 -0.91 0
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3108 9165 1 NH13C21 AB13C21 96.73 1.79 -8.76 -1.1 0
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3109 9166 2 NH6C10 AB6C10 110.59 0.42 -9.0 -1.34 0
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3110 9167 2 H8C13 A8B13 105.97 0.03 -8.16 -1.26 0
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3111 9168 2 H8C13 A8B13 300.11 2.45 -8.27 -1.37 0
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3112 9169 2 H8C13 A8B13 107.48 0.06 -8.13 -1.27 0
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3113 9170 6 H2C3 A2B3 68.67 0.0 -8.73 -0.56 0
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3114 9171 6 H2C3 A2B3 69.87 0.0 -8.55 -0.77 0
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3115 9172 1 NH11C17 AB11C17 79.85 2.98 -8.81 -1.04 0
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3116 9173 1 NH11C17 AB11C17 80.37 2.42 -8.8 -0.98 0
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3117 9174 1 NH11C17 AB11C17 80.01 1.94 -8.7 -0.93 0
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3118 9175 2 H8C11 A8B11 120.46 0.97 -7.42 -1.38 0
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3119 9177 1 NH13C21 AB13C21 96.81 2.28 -8.83 -1.11 0
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3120 9179 1 NH11C17 AB11C17 82.69 2.44 -8.62 -1.14 0
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3121 9181 1 NH11C17 AB11C17 83.17 1.77 -8.77 -1.14 0
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3122 9183 1 NH13C21 AB13C21 96.39 1.83 -8.73 -1.11 0
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3123 9184 2 NH6C10 AB6C10 110.48 0.0 -8.9 -1.35 0
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3124 9185 2 H8C13 A8B13 105.03 0.1 -8.18 -1.23 0
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3125 9186 2 H8C13 A8B13 105.0 0.03 -8.18 -1.23 0
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3126 9187 1 SH10C16 AB10C16 76.11 0.77 -8.38 -1.15 0
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3127 9190 2 NH4C6 AB4C6 86.06 4.13 -9.46 -1.14 0
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3128 9191 1 NH9C13 AB9C13 64.38 1.85 -8.92 -0.74 0
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3129 9192 1 OH8C12 AB8C12 23.22 0.71 -8.72 -0.65 0
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3130 9193 1 SH8C12 AB8C12 56.99 0.64 -8.59 -0.7 0
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3131 9194 1 N3H7C10 A3B7C10 84.52 4.37 -9.41 -1.1 0
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3132 9195 1 H12C17 A12B17 64.88 0.65 -8.46 -0.6 0
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3133 9198 1 SH10C16 AB10C16 67.49 0.91 -8.4 -0.86 0
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3134 9201 1 H12C17 A12B17 62.85 0.6 -8.6 -0.6 0
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3135 9203 1 SH10C16 AB10C16 67.38 1.36 -8.35 -0.87 0
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3136 9204 1 H10C13 A10B13 67.77 1.54 -8.55 -0.73 0