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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174538 75780381 1 ClSO3N4C21H30 ABC3D4E21F30 -58.78 17.84 0.0 0.0 0
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174539 75781035 1 SCl2N4O4C20H20 AB2C4D4E20F20 -68.74 10.12 -9.45 -1.71 1
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174540 75781036 1 SCl2N4O4C22H23 AB2C4D4E22F23 -67.26 8.68 0.0 0.0 0
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174541 75781535 1 S2F3N3O3H18C24 A2B3C3D3E18F24 -166.54 9.03 -8.65 -1.99 0
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174542 75781643 1 SCl2N3O3H17C22 AB2C3D3E17F22 -7.31 3.33 -9.1 -1.06 0
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174543 75781725 1 SN3O3H23C24 AB3C3D23E24 -14.9 6.33 -8.26 -0.97 0
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174544 75781824 1 SCl2O2N3C25H25 AB2C2D3E25F25 9.17 3.14 -8.93 -1.14 0
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174545 75781825 1 SN3O3H25C27 AB3C3D25E27 0.2 6.91 -8.42 -1.08 0
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174546 75782313 1 ClN2O3C23H29 AB2C3D23E29 -98.35 7.25 -8.63 -0.24 0
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174547 75782469 1 SO2Cl3N5H12C19 AB2C3D5E12F19 72.95 10.19 -8.87 -1.72 0
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174548 75782525 1 NSO5C15H23 ABC5D15E23 -194.03 5.32 -9.06 -0.39 0
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174549 75782526 1 FNSO4C14H20 ABCD4E14F20 -206.26 4.94 -9.08 -0.07 0
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174550 75782527 1 FNSO4C14H20 ABCD4E14F20 -207.37 6.04 -9.4 -0.52 0
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174551 75783331 2 NO2C12H15 AB2C12D15 -146.39 5.62 -8.42 -0.39 0
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174552 75783332 1 N2O4C25H32 A2B4C25D32 -152.5 2.1 -8.7 -0.71 0
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174553 75783333 2 NO2C12H15 AB2C12D15 -148.59 5.2 -8.43 -0.32 0
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174554 75783334 1 N2O4C25H32 A2B4C25D32 -153.83 5.19 -8.44 -0.31 0
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174555 75783335 2 NO2C13H17 AB2C13D17 -158.46 3.27 -8.63 -0.78 1
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174556 75783805 1 FSO2N3C20H23 ABC2D3E20F23 -46.11 2.72 0.0 0.0 0
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174557 75784092 2 N3C9H11 A3B9C11 91.88 9.1 -8.85 -0.44 0
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174558 75784407 1 NSO6C26H29 ABC6D26E29 -184.8 3.8 -9.23 -0.84 0
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174559 75784718 1 ClN2O2C19H23 AB2C2D19E23 -83.2 4.92 -8.62 0.14 0
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174560 75785012 1 SN4O4C23H30 AB4C4D23E30 -115.37 7.92 -9.05 -0.35 -1
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174561 75785067 1 SN4O4H7C15 AB4C4D7E15 94.24 7.86 0.0 0.0 -1
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174562 75785397 1 SO2N3H20C23 AB2C3D20E23 21.84 3.45 0.0 0.0 -1