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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327832 126691131 1 SO2C12H17 AB2C12D17 -66.17 5.55 0.0 0.0 0
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327833 126691132 1 SO2C12H18 AB2C12D18 -84.86 4.53 -8.93 -0.32 0
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327834 126691133 1 SC12H18 AB12C18 -14.87 2.13 -8.57 0.22 0
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327835 126691134 1 NC14H21 AB14C21 13.38 2.04 -8.66 0.52 0
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327836 126691136 1 PCl2N2O3C16H29 AB2C2D3E16F29 -222.57 5.3 -9.63 0.63 1
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327837 126691138 1 N2C13H31 A2B13C31 -4.19 1.22 0.0 0.0 0
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327838 126691140 1 BrOC5H9 ABC5D9 -47.5 1.49 -10.33 -0.54 0
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327839 126691141 1 OC15H22 AB15C22 -40.34 1.56 -8.51 0.44 0
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327840 126691143 1 OC14H20 AB14C20 -31.31 1.63 -8.18 0.15 0
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327841 126691144 1 N2O2C25H32 A2B2C25D32 -73.36 2.88 -8.76 0.3 0
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327842 126691147 1 NOH11C15 ABC11D15 35.86 3.66 -8.65 -0.59 0
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327843 126691150 1 ON6H20C21 AB6C20D21 93.65 4.01 -9.53 -1.3 0
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327844 126691151 1 NOSH35C46 ABCD35E46 151.96 1.27 -7.75 -0.7 0
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327845 126691152 1 O2N5H23C24 A2B5C23D24 77.75 2.74 -9.45 -1.33 0
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327846 126691154 1 FON5H18C21 ABC5D18E21 51.44 4.06 -9.46 -1.28 0
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327847 126691155 1 O2N5H21C25 A2B5C21D25 59.98 5.79 -9.4 -1.19 0
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327848 126691157 1 OSN7H23C24 ABC7D23E24 111.96 5.06 -9.27 -1.24 0
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327849 126691159 1 ClON5C21H22 ABC5D21E22 42.23 7.18 -9.02 -0.71 0
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327850 126691160 1 N3O3C21H23 A3B3C21D23 -103.54 2.86 -8.94 -0.37 0
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327851 126691161 1 ClO3N4H17C20 AB3C4D17E20 9.35 2.46 -9.45 -1.59 0
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327852 126691162 1 O2F3N5H20C23 A2B3C5D20E23 -98.09 2.38 -9.64 -1.46 0
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327853 126691163 1 ON2H36C50 AB2C36D50 167.96 3.24 -7.88 -0.47 0
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327854 126691166 1 SN2F3O3C25H25 AB2C3D3E25F25 -208.53 3.94 -8.99 -0.95 0
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327855 126691168 2 OC9H17 AB9C17 -164.03 2.34 -9.5 2.11 0
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327856 126691169 1 OC11H22 AB11C22 -91.88 1.99 -9.49 2.57 0
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327857 126691173 1 F2N7H17C20 A2B7C17D20 45.86 2.32 -9.72 -1.48 0
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327858 126691174 1 OSN2F3C25H25 ABC2D3E25F25 -122.79 4.47 -8.55 -0.26 0
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327859 126691175 1 OC20H40 AB20C40 -130.72 1.95 -9.41 2.6 0
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327860 126691176 1 NOC8H13 ABC8D13 -39.79 3.83 -10.12 1.17 0
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327861 126691177 1 OF3N5H20C24 AB3C5D20E24 -87.11 1.98 -9.58 -1.43 0
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327862 126691178 1 ON2H40C60 AB2C40D60 239.19 2.4 -8.16 -0.59 0
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327863 126691179 1 ClON3C16H20 ABC3D16E20 -18.27 3.44 -8.43 -0.93 0
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327864 126691180 1 NP3O6C17H38 AB3C6D17E38 -482.77 4.49 -8.37 0.27 0
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327865 126691181 1 O3N5C26H29 A3B5C26D29 -14.92 8.14 -9.17 -0.48 0
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327866 126691182 1 ON6H20C22 AB6C20D22 86.49 4.01 -9.46 -1.27 0
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327867 126691183 1 O2N5H21C22 A2B5C21D22 59.15 4.37 -9.46 -1.33 0
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327868 126691185 1 OF3N3C16H18 AB3C3D16E18 -169.73 4.67 -8.73 -1.27 0
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327869 126691186 1 N2O3C23H40 A2B3C23D40 -146.73 5.62 -8.31 0.08 0
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327870 126691187 1 O2N5C21H25 A2B5C21D25 -8.05 7.01 -8.57 -0.67 0
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327871 126691188 1 OSN2F3H23C25 ABC2D3E23F25 -119.63 4.67 -8.61 -0.47 0
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327872 126691189 1 ON2C17H34 AB2C17D34 -85.56 1.97 -8.38 2.17 0
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327873 126691190 1 N3C25H41 A3B25C41 -19.2 1.72 -8.03 0.48 0
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327874 126691194 1 O2N5H23C24 A2B5C23D24 52.53 5.66 -9.3 -1.15 0
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327875 126691195 1 S3C15O16H22 A3B15C16D22 -640.7 5.34 -8.99 -1.38 0
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327876 126691204 1 O2N5H21C25 A2B5C21D25 83.56 4.75 -9.43 -1.24 0
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327877 126691205 1 O2N5H21C25 A2B5C21D25 83.54 4.74 -9.43 -1.24 0
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327878 126691209 7 NC3H3 AB3C3 126.48 5.95 -8.68 -0.99 0
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327879 126691212 1 OF4N5H15C21 AB4C5D15E21 -91.87 4.5 -9.57 -1.34 0
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327880 126691214 1 O4N5C24H25 A4B5C24D25 -64.88 5.7 -9.08 -0.45 0
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327881 126691215 1 SN2H36C52 AB2C36D52 247.24 0.82 -7.86 -0.7 0