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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165041 74488362 1 O3N4C23H37 A3B4C23D37 -102.86 5.26 0.0 0.0 1
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165042 74488578 1 O2N5C28H34 A2B5C28D34 52.82 6.59 0.0 0.0 1
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165043 74488614 1 SO2N4C25H31 AB2C4D25E31 -9.06 6.01 0.0 0.0 1
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165044 74488620 1 N3O3C23H36 A3B3C23D36 -106.47 3.4 0.0 0.0 0
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165045 74488928 1 ClO4N5C24H28 AB4C5D24E28 -136.96 2.2 -9.72 -0.8 -1
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165046 74489113 1 O3C20H31 A3B20C31 -121.48 6.71 0.0 0.0 0
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165047 74489114 1 NO3C6H9 AB3C6D9 -129.67 6.42 -10.48 0.2 0
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165048 74489344 1 O3N4C19H36 A3B4C19D36 -187.29 6.31 -9.64 0.14 0
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165049 74489345 1 N5O5C23H33 A5B5C23D33 -202.79 3.46 -8.85 -0.43 0
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165050 74489396 1 O3N4C24H40 A3B4C24D40 -187.38 7.14 -9.7 0.1 0
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165051 74489397 1 O5N6C24H36 A5B6C24D36 -141.53 11.74 -9.08 -0.99 0
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165052 74489462 1 N4O4C23H36 A4B4C23D36 -188.31 5.29 -9.09 -0.2 0
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165053 74489463 1 N4O4C27H36 A4B4C27D36 -145.74 2.2 -9.15 -0.45 0
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165054 74489692 1 N4O5C23H36 A4B5C23D36 -218.64 4.11 -8.63 -0.19 0
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165055 74491313 2 N2O2C12H19 A2B2C12D19 -188.05 4.16 -8.72 -0.49 1
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165056 74491501 1 ClO2N3C28H33 AB2C3D28E33 -27.42 3.35 0.0 0.0 1
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165057 74491502 1 O3N4C24H31 A3B4C24D31 -73.45 3.36 0.0 0.0 1
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165058 74491503 1 SN3O3C16H22 AB3C3D16E22 -81.02 14.24 0.0 0.0 1
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165059 74491504 1 SN3O4C21H28 AB3C4D21E28 -105.33 7.96 0.0 0.0 0
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165060 74491505 1 F2O2S3N4H18C21 A2B2C3D4E18F21 -70.44 8.95 -8.71 -1.87 0
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165061 74491506 1 SF2N3O3H15C21 AB2C3D3E15F21 -63.11 2.95 -8.98 -1.01 0
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165062 74491869 1 BrSO3N4C17H25 ABC3D4E17F25 -106.92 6.66 -9.68 -1.29 1
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165063 74492344 1 N3O4C23H36 A3B4C23D36 -143.16 4.53 0.0 0.0 1
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165064 74492420 1 ClOSN4C21H28 ABCD4E21F28 21.27 8.12 0.0 0.0 0
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165065 74492674 1 N3O4C23H31 A3B4C23D31 -118.89 2.62 -9.03 0.02 1