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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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3137 9209 2 NH3C4 AB3C4 61.93 3.95 -9.74 -1.08 0
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3138 9210 2 NH3C4 AB3C4 61.84 3.14 -9.74 -1.09 0
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3139 9212 1 NH11C14 AB11C14 66.96 0.91 -8.14 -0.37 0
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3140 9214 4 H2C3 A2B3 98.35 0.02 -8.59 -0.49 0
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3141 9215 1 NH9C13 AB9C13 70.91 2.22 -8.84 -1.21 0
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3142 9217 1 OSH8C12 ABC8D12 18.81 0.28 -8.11 -0.41 0
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3143 9218 1 NO2H7C9 AB2C7D9 8.53 3.77 -9.26 -1.4 0
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3144 9219 1 N2H6C7 A2B6C7 51.75 3.64 -8.9 -0.33 0
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3145 9220 1 N2H6C7 A2B6C7 50.45 4.25 -8.93 -0.33 0
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3146 9223 1 OH6C8 AB6C8 8.09 0.72 -9.15 -0.29 0
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3147 9226 1 N2H6C7 A2B6C7 53.09 4.24 -9.03 -0.29 0
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3148 9227 1 N3H5C6 A3B5C6 62.75 3.75 -9.51 -0.67 0
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3149 9228 1 NOH5C7 ABC5D7 16.51 1.63 -9.67 -0.66 0
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3150 9229 1 O2H6C7 A2B6C7 -40.59 0.03 -8.81 -0.05 0
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3151 9230 1 NH7C8 AB7C8 48.29 1.78 -8.28 -0.26 0
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3152 9231 2 H4C5 A4B5 76.21 1.41 -8.34 -0.83 0
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3153 9232 2 OC3H4 AB3C4 -25.85 1.0 -10.22 1.32 0
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3154 9234 1 OC6H10 AB6C10 -46.04 2.25 -9.9 2.55 0
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3155 9235 2 C4H7 A4B7 -25.48 0.0 -10.34 4.12 0
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3156 9246 1 OC6H10 AB6C10 7.86 3.41 -9.94 1.81 0
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3157 9247 1 SC6H10 AB6C10 33.34 3.16 -8.79 -0.06 0
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3158 9248 1 OC12H22 AB12C22 -55.1 2.75 -9.97 2.26 0
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3159 9249 1 C7H10 A7B10 49.48 0.2 -9.89 2.07 0
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3160 9252 2 SeSiH2 ABC2 -13.1 0.01 -9.39 -1.94 0
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3161 9253 5 CH2 AB2 -20.14 0.01 -11.0 3.97 0
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3162 9254 1 NOC3H3 ABC3D3 23.33 2.74 -10.62 -0.1 0
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3163 9255 1 NOC3H3 ABC3D3 -1.65 1.8 -10.25 -0.07 0
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3164 9256 1 NSC3H3 ABC3D3 39.95 1.73 -9.67 -0.62 0
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3165 9257 1 C2H3N3 A2B3C3 52.62 3.08 -10.61 0.01 0
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3166 9259 2 NC2H2 AB2C2 55.18 4.32 -10.13 -0.67 0
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3167 9261 2 NC2H2 AB2C2 47.55 0.0 -10.04 -0.73 0
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3168 9263 2 CHN2 ABC2 98.1 0.01 -10.42 -1.88 0
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3169 9264 3 CSH2 ABC2 22.08 2.32 -8.75 0.06 0
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3170 9265 7 CH2 AB2 -28.47 0.0 -10.78 4.28 0
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3171 9266 8 CH2 AB2 -31.17 0.02 -10.37 4.36 0
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3172 9268 12 CH2 AB2 -40.24 0.0 -10.58 4.09 0
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3173 9270 4 OC6H8 AB6C8 -161.39 3.56 -9.54 0.77 0
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3174 9274 1 PO2S2C4H11 AB2C2D4E11 -178.72 3.38 -9.34 -0.32 0
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3175 9275 1 PO4C16H35 AB4C16D35 -316.24 3.11 -10.71 0.8 0
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3176 9276 1 NO4C19H19 AB4C19D19 -99.37 2.57 -8.29 -0.52 0
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3177 9277 1 BrOSN2C18H21 ABCD2E18F21 0.62 7.68 -8.33 -0.41 0
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3178 9281 2 ClO3N5H15C20 AB3C5D15E20 258.06 4.55 -8.61 -2.13 0
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3179 9282 2 O3N5H15C20 A3B5C15D20 301.17 7.99 -7.2 -2.04 2
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3180 9283 1 ClN4H15C19 AB4C15D19 176.82 9.75 -8.47 -1.83 0
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3181 9284 1 N4H15C19 A4B15C19 168.26 1.76 0.0 0.0 1
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3182 9285 1 SN2O4C14H14 AB2C4D14E14 -67.89 11.03 -9.77 -2.59 0
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3183 9286 1 N2H11C13 A2B11C13 71.29 3.76 0.0 0.0 1
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3184 9289 1 C6O7H12 A6B7C12 -320.03 3.07 -11.08 -0.01 0
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3185 9290 1 CaC12O14H22 AB12C14D22 -724.39 3.35 -10.09 -0.26 0
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3186 9291 1 FeC12O14H24 AB12C14D24 -457.05 4.17 -7.7 -0.22 0