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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4101 10767 1 NO2C14H21 AB2C14D21 -80.98 1.19 -8.66 -0.49 0
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4102 10769 2 NOC7H11 ABC7D11 -85.21 3.03 -8.56 -0.18 0
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4103 10771 1 ClN4C12H13 AB4C12D13 52.02 3.81 -8.22 -0.82 0
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4104 10772 1 NO3H7C8 AB3C7D8 -85.49 6.37 -8.87 -0.52 0
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4105 10773 1 NNaO3H8C9 ABC3D8E9 -141.77 9.11 -9.22 0.13 0
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4106 10774 1 ON2H12C13 AB2C12D13 29.32 3.18 -8.86 -0.46 0
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4107 10775 1 NO4C11H15 AB4C11D15 -160.54 2.75 -8.82 0.25 0
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4108 10776 1 NO2C10H13 AB2C10D13 -47.57 1.6 -8.69 -0.02 0
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4109 10777 1 ClNOC8H8 ABCD8E8 -37.17 2.05 -9.01 -0.26 0
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4110 10778 1 O2C9H10 A2B9C10 -71.94 2.58 -9.16 0.08 0
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4111 10780 1 Cl2O3C10H10 A2B3C10D10 -118.4 4.3 -9.13 -0.59 0
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4112 10781 1 ClNO2C16H24 ABC2D16E24 -119.24 3.35 -8.81 -0.61 0
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4113 10782 1 NO2C16H23 AB2C16D23 -84.64 1.73 -8.53 -0.51 0
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4114 10783 1 ClNSC6H8 ABCD6E8 7.85 0.52 -9.48 -0.65 0
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4115 10784 1 IOH5C6 ABC5D6 -6.47 0.8 -9.24 -1.1 0
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4116 10785 2 OC3H5 AB3C5 -99.53 4.0 -10.17 0.21 0
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4117 10789 1 O2H6C7 A2B6C7 11.78 3.3 -9.56 -0.98 0
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4118 10790 1 O5C16H32 A5B16C32 -289.28 3.76 -10.08 0.57 0
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4119 10794 1 SN2C3H8 AB2C3D8 16.78 3.94 -9.09 0.1 0
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4120 10797 1 OC5H6 AB5C6 -18.49 0.88 -9.12 0.71 0
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4121 10798 2 NC2H4 AB2C4 12.44 2.72 -9.14 1.18 0
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4122 10799 1 AsN2O5C12H21 AB2C5D12E21 -197.28 7.26 -8.74 -0.28 0
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4123 10800 1 N2O5H6C7 A2B5C6D7 -42.16 4.78 -10.49 -2.08 0
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4124 10801 1 O4C7H12 A4B7C12 -200.02 4.58 -11.22 -0.48 0
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4125 10802 1 OBr2N4C14H20 AB2C4D14E20 -36.44 3.97 -8.04 -1.55 0
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4126 10803 1 ON4C14H19 AB4C14D19 3.05 2.14 0.0 0.0 1
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4127 10806 1 N2O3H14C17 A2B3C14D17 18.21 4.04 -9.3 -1.4 0
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4128 10807 1 ClO2C5H9 AB2C5D9 -114.5 1.32 -10.7 -0.12 0
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4129 10808 2 ClOC2H3 ABC2D3 -107.35 3.05 -10.91 -0.6 0
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4130 10809 1 AsNSNa2O6C7H8 ABCD2E6F7G8 -300.02 6.24 -7.58 0.53 0
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4131 10810 1 AsNSO6C7H10 ABCD6E7F10 -190.01 5.69 -8.75 -0.48 0
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4132 10811 2 OSN2C6H8 ABC2D6E8 -28.68 9.77 -8.94 -0.75 0
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4133 10812 2 C5H7 A5B7 -5.1 0.5 -9.05 0.57 0
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4134 10813 1 ClN3C7H10 AB3C7D10 24.7 5.49 -9.1 -0.3 0
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4135 10817 1 OC9H12 AB9C12 -40.44 1.75 -9.07 0.45 0
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4136 10819 1 OC10H16 AB10C16 -46.12 2.01 -9.59 0.99 0
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4137 10821 2 H3C4 A3B4 78.38 0.6 -9.38 -0.19 0
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4138 10823 1 NC7H9 AB7C9 20.1 2.74 -9.73 -0.03 0
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4139 10825 1 NSO4H13C14 ABC4D13E14 -117.49 6.01 -9.49 -0.67 0
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4141 10828 1 N3O3C23H25 A3B3C23D25 -25.09 4.53 -7.92 -0.2 0
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4142 10829 1 O7H16C17 A7B16C17 -269.23 11.43 -9.6 -0.86 0
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4144 10831 1 N3O4C22H27 A3B4C22D27 -139.54 2.38 -8.76 0.0 0
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4145 10834 1 NO2C15H19 AB2C15D19 -69.96 3.54 -8.92 -0.54 0
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4146 10841 1 N3C12H13 A3B12C13 48.12 1.55 -7.62 0.26 0
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4147 10842 2 NSO2H4C6 ABC2D4E6 42.65 7.57 -9.58 -2.08 0
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4148 10843 1 NOC9H11 ABC9D11 -38.33 2.9 -8.77 0.21 0
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4149 10844 1 AsClNO2C6H7 ABCD2E6F7 108.8 5.67 -7.4 -0.26 0
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4150 10845 1 AsNO2C6H6 ABC2D6E6 48.75 1.35 -8.47 -1.25 0
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4152 10859 1 NC17H33 AB17C33 -56.03 1.33 -8.5 2.9 0
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4153 10863 1 NO2C16H23 AB2C16D23 -66.42 3.28 -8.56 -0.82 0
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4154 10866 1 BrNOC22H40 ABCD22E40 -80.51 11.68 -7.97 0.03 0
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4155 10871 1 ClNOC8H8 ABCD8E8 -37.86 4.88 -8.9 -0.26 0
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4156 10872 2 N2C7H8 A2B7C8 91.14 0.91 -7.89 -0.62 0
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4157 10873 1 OC9H12 AB9C12 -25.06 1.71 -9.29 0.41 0
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4158 10879 1 AlH4 AB4 138.16 0.02 0.0 0.0 -1
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4159 10881 1 OH6C7 AB6C7 51.48 3.31 -9.77 -0.95 0
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4160 10885 2 OC4H8 AB4C8 -125.08 1.83 -10.68 0.92 0
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4161 10887 1 OC17H34 AB17C34 -116.55 3.24 -9.86 0.76 0
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4162 10889 2 OC16H32 AB16C32 -235.51 2.08 -10.5 0.89 0
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4163 10890 1 O2C9H18 A2B9C18 -128.95 1.92 -10.78 0.81 0
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4165 10892 2 FH2C3 AB2C3 -71.3 0.0 -9.89 -0.48 0
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4166 10893 1 INC6H6 ABC6D6 36.62 3.28 -8.6 -0.6 0
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4167 10898 1 BrOC2H5 ABC2D5 -52.56 1.41 -10.74 -0.42 0
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4168 10900 2 CClH ABC -1.4 0.0 -9.98 -0.09 0
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4169 10906 1 NO2C4H9 AB2C4D9 -41.79 3.27 -9.81 -0.33 0
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4170 10909 1 NaSC3O4H7 ABC3D4E7 -222.17 2.93 -9.9 0.55 0
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4171 10910 1 SC3O4H8 AB3C4D8 -184.96 5.14 -11.35 -0.25 0
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4172 10911 6 OSiC2H6 ABC2D6 -762.55 0.0 -9.45 1.43 0
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4173 10912 1 O6Si7C16H48 A6B7C16D48 -815.77 0.24 -9.48 1.52 0
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4174 10913 5 OSiC2H6 ABC2D6 -638.94 0.06 -9.51 1.42 0
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4175 10917 1 NO3C7H15 AB3C7D15 -125.19 13.03 -8.81 -0.19 0
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4176 10919 1 Br2N2C11H28 A2B2C11D28 -51.87 4.08 -8.12 -0.01 0
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4177 10920 1 N2C11H28 A2B11C28 103.93 0.34 -2.28 -0.26 2
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4178 10923 1 AsC2H2Cl3 AB2C2D3 -36.01 2.19 -10.15 -1.35 0
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4179 10926 2 ClC2H4 AB2C4 -40.28 2.49 -10.84 0.29 0