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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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101 2116 1 O2C29H50 A2B29C50 -180.24 3.27 -7.92 0.49 0
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102 2118 1 ClN4H13C17 AB4C13D17 111.46 6.34 -9.76 -1.28 0
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103 2119 1 NO2C15H23 AB2C15D23 -67.98 1.77 -8.89 0.16 0
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104 2120 1 NO4H9C14 AB4C9D14 -122.07 9.39 -10.12 -2.08 0
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105 2121 1 N3O3H11C16 A3B3C11D16 66.45 4.57 -9.34 -2.66 0
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106 2123 3 N2C3H6 A2B3C6 47.55 0.84 -8.8 0.52 0
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107 2125 1 IOCl2N4H21C22 ABC2D4E21F22 55.62 4.55 -8.64 -1.22 0
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108 2128 1 SCl2N2O4C19H25 AB2C2D4E19F25 -120.13 0.97 0.0 0.0 1
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109 2129 1 SCl2N2O4C19H24 AB2C2D4E19F24 -143.91 6.5 -8.64 -0.35 0
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110 2130 1 NC10H17 AB10C17 -32.36 1.7 -9.19 3.41 0
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111 2140 1 N2I3O4H9C11 A2B3C4D9E11 -90.0 8.75 -9.41 -1.76 0
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112 2141 1 PSN2O3C5H15 ABC2D3E5F15 -205.77 2.91 -9.33 -0.53 0
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113 2142 1 N5O13C22H43 A5B13C22D43 -595.14 6.65 -9.35 0.52 0
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114 2144 1 SN3O5C13H21 AB3C5D13E21 -175.93 3.39 -9.58 -1.1 0
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115 2146 1 CN4H6 AB4C6 28.0 1.18 -9.03 1.02 0
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116 2148 1 N2O3C9H10 A2B3C9D10 -108.65 8.81 -9.14 -0.62 0
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117 2149 1 NO3C4H9 AB3C4D9 -144.78 7.18 -10.47 0.82 0
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118 2150 1 SN4O6C15H24 AB4C6D15E24 -219.46 7.47 -9.82 -1.18 0
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119 2151 1 ON3C11H13 AB3C11D13 17.76 4.35 -8.52 -0.31 0
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120 2152 2 PN3C5O5H8 AB3C5D5E8 -490.93 15.15 -8.91 -0.77 0
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121 2153 1 O2N4C7H8 A2B4C7D8 -45.72 3.11 -9.31 -0.73 0
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122 2154 1 O5N8C19H20 A5B8C19D20 -122.7 9.13 -9.02 -1.27 0
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123 2155 1 SN2C3H4 AB2C3D4 35.87 2.04 -8.98 -0.34 0
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124 2156 1 NI2O3C25H30 AB2C3D25E30 -32.2 14.46 0.0 0.0 1
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125 2157 1 NI2O3C25H29 AB2C3D25E29 -37.58 5.53 -8.91 -1.27 0
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126 2158 1 NO6C14H27 AB6C14D27 -284.82 4.78 -8.94 1.04 0
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127 2160 1 NC20H23 AB20C23 47.13 2.21 -8.66 0.15 0
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128 2161 2 NO2H7C8 AB2C7D8 -116.08 5.7 -9.64 -1.19 0
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129 2162 1 ClN2O5C20H25 AB2C5D20E25 -198.39 3.85 -8.89 -0.65 0
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130 2163 1 N2O3C11H17 A2B3C11D17 -104.99 3.3 0.0 0.0 -1
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131 2164 1 N2O3C11H18 A2B3C11D18 -165.95 2.07 -10.99 -0.68 0
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132 2165 1 ClON3C20H22 ABC3D20E22 11.14 6.53 -8.54 -0.74 0
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133 2166 1 ClON3C20H22 ABC3D20E22 9.08 6.27 -8.63 -0.94 0
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134 2167 1 SN6O8C35H46 AB6C8D35E46 -333.9 9.95 -8.6 -0.1 0
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135 2169 1 SN2O5C18H24 AB2C5D18E24 -160.01 6.02 -8.71 -0.4 0
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136 2170 1 ClON3H16C17 ABC3D16E17 41.1 1.68 -8.71 -0.95 0
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137 2171 1 SN3O5C16H19 AB3C5D16E19 -173.72 6.58 -9.45 -0.52 0
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138 2172 1 NO5C8H9 AB5C8D9 -166.65 6.09 -10.09 -0.75 0
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139 2173 1 SN3O4C16H18 AB3C4D16E18 -114.99 5.55 0.0 0.0 -1
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140 2178 1 N4C14H19 A4B14C19 46.82 1.29 0.0 0.0 1
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141 2179 1 SN3O3H19C21 AB3C3D19E21 -25.07 4.09 -8.07 -1.12 0
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142 2180 1 NO11C20H27 AB11C20D27 -436.06 4.19 -10.11 -0.54 0
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143 2181 2 NC5H7 AB5C7 23.7 2.55 -9.12 -0.08 0
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144 2182 1 OCl2N3H7C10 AB2C3D7E10 4.82 5.26 -9.43 -1.25 0
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145 2183 1 NO2C20H37 AB2C20D37 -130.23 3.06 -9.3 1.0 0
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146 2186 1 NO2C24H41 AB2C24D41 -106.98 5.75 -9.5 0.89 0
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147 2187 1 N5C17H19 A5B17C19 106.8 3.81 -10.24 -0.75 0
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148 2188 1 ClNS2H4C8O8 ABC2D4E8F8 -221.07 7.75 -10.66 -3.65 -2
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149 2190 1 ClNSH5O5C8 ABCD5E5F8 -126.56 8.25 0.0 0.0 -1
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150 2191 1 ClNSO5H6C8 ABCD5E6F8 -169.06 2.37 -8.87 -1.28 0