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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321109 126664907 1 BrSN2C8H19 ABC2D8E19 -17.58 10.04 -7.98 -0.54 1
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321110 126664910 1 SN2C28H59 AB2C28D59 -66.6 2.62 0.0 0.0 1
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321111 126664911 1 N5C25H44 A5B25C44 67.83 6.43 0.0 0.0 1
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321112 126664913 1 SN3C13H26 AB3C13D26 7.77 2.06 0.0 0.0 1
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321113 126664914 1 N7C23H42 A7B23C42 114.26 4.08 0.0 0.0 1
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321114 126664920 1 SN2C18H39 AB2C18D39 -27.73 3.64 0.0 0.0 0
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321115 126664921 1 BrSN2C11H19 ABC2D11E19 1.77 4.62 -7.82 -1.29 0
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321116 126664923 1 BrSN2C8H21 ABC2D8E21 -23.92 11.73 -7.99 0.09 1
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321117 126664927 1 SN3C9H18 AB3C9D18 26.81 3.49 0.0 0.0 0
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321118 126664937 1 BrSN2C18H33 ABC2D18E33 -33.98 7.87 -7.72 -1.17 1
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321119 126664944 1 SN3C10H20 AB3C10D20 19.14 0.98 0.0 0.0 0
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321120 126664945 1 BrSN2C16H35 ABC2D16E35 -54.1 11.45 -7.96 0.0 1
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321121 126664948 1 SN2C9H23 AB2C9D23 9.49 2.75 0.0 0.0 1
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321122 126664952 1 SN2C32H67 AB2C32D67 -88.18 1.89 0.0 0.0 1
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321123 126664954 1 SN2C32H67 AB2C32D67 -94.84 3.35 0.0 0.0 0
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321124 126664957 1 BrSN3C9H18 ABC3D9E18 -7.66 2.81 -8.22 -0.19 1
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321125 126664962 1 SN2C25H55 AB2C25D55 -65.24 2.31 0.0 0.0 1
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321126 126664968 1 SN2C25H55 AB2C25D55 -64.79 3.05 0.0 0.0 1
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321127 126664972 1 NSC9H14 ABC9D14 17.56 1.08 0.0 0.0 0
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321128 126664976 1 BrSN2C13H29 ABC2D13E29 -40.6 12.23 -7.87 0.13 0
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321129 126664981 1 BrSN2C15H33 ABC2D15E33 -51.86 10.6 -7.84 0.16 0
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321130 126664983 1 BrSN2C15H27 ABC2D15E27 -19.21 7.58 -7.76 -1.2 1
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321131 126664984 1 SN2C15H27 AB2C15D27 -7.16 3.71 0.0 0.0 0
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321132 126664985 1 BrSN2C8H21 ABC2D8E21 -18.02 11.75 -7.88 -0.28 1
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321133 126664986 1 SN2C8H21 AB2C8D21 13.39 4.23 0.0 0.0 1
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321134 126664988 1 SN2C10H17 AB2C10D17 18.19 3.38 0.0 0.0 1
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321135 126664990 1 SN2C12H21 AB2C12D21 8.13 3.69 0.0 0.0 0
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321136 126664995 1 BrNSC17H36 ABCD17E36 -15.55 36.45 -5.53 -2.0 0
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321137 126665012 1 BrSN3C16H32 ABC3D16E32 -9.92 13.49 -7.98 -0.6 0
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321138 126665016 1 BrNSC8H18 ABCD8E18 -21.52 11.59 -7.89 -0.06 1
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321139 126665020 1 SN2C13H31 AB2C13D31 -11.25 3.61 0.0 0.0 0
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321140 126665021 1 BrSN2C7H19 ABC2D7E19 -18.03 11.71 -7.99 0.07 0
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321141 126665025 1 BrSN3C17H34 ABC3D17E34 -33.59 8.06 -9.08 0.02 1
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321142 126665028 1 NSC9H20 ABC9D20 8.78 1.83 0.0 0.0 0
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321143 126665029 1 BrSN2C16H35 ABC2D16E35 -61.64 11.58 -7.81 0.0 1
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321144 126665030 1 SN2C16H35 AB2C16D35 -16.81 2.88 0.0 0.0 0
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321145 126665033 1 BrSN2C16H35 ABC2D16E35 -47.87 15.47 -7.73 -0.31 1
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321146 126665034 1 SN2C16H35 AB2C16D35 -17.03 3.99 0.0 0.0 1
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321147 126665036 1 SN2C18H33 AB2C18D33 -18.54 2.02 0.0 0.0 1
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321148 126665038 1 SN3C15H30 AB3C15D30 -0.89 3.23 0.0 0.0 1
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321149 126665040 1 SN2C8H19 AB2C8D19 21.49 1.14 0.0 0.0 0
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321150 126665053 1 BrSN2C10H23 ABC2D10E23 -28.43 10.08 -7.93 -0.03 1
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321151 126665054 1 SN2C10H23 AB2C10D23 10.9 2.49 0.0 0.0 0
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321152 126665055 1 BrSN2C19H41 ABC2D19E41 -66.95 12.0 -7.93 -0.15 1
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321153 126665056 1 SN2C19H41 AB2C19D41 -34.4 5.33 0.0 0.0 0
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321154 126665057 1 BrSN2C12H27 ABC2D12E27 -29.5 9.97 -7.77 -0.66 1
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321155 126665058 1 SN2C12H27 AB2C12D27 2.26 4.49 0.0 0.0 0
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321156 126665061 1 BrSN2C9H23 ABC2D9E23 -9.58 13.82 -7.55 -0.86 1
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321157 126665064 1 SN2C15H35 AB2C15D35 -21.23 3.61 0.0 0.0 0
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321158 126665065 1 BrSN2C17H37 ABC2D17E37 -61.02 11.91 -7.82 0.23 0