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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222017 85293414 1 NO8C24H33 AB8C24D33 -352.94 0.72 -9.63 -0.11 0
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222018 85293416 1 SO3N5C23H37 AB3C5D23E37 -127.07 3.46 -9.35 -1.39 0
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222019 85293429 1 ClNO4C27H28 ABC4D27E28 -81.25 4.67 -8.3 -1.54 0
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222020 85293434 1 N2O7C24H38 A2B7C24D38 -327.5 4.0 -9.62 0.1 0
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222021 85293446 1 NPSC30H30 ABCD30E30 87.73 1.39 -8.07 0.04 0
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222023 85293466 2 NSO3H9C11 ABC3D9E11 -161.01 3.42 -9.01 -0.83 0
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222024 85293480 1 FN3O5H20C26 AB3C5D20E26 -122.38 2.91 -9.64 -0.79 0
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222025 85293482 1 NSiO6C25H35 ABC6D25E35 -294.27 2.36 -8.92 -0.28 0
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222026 85293489 1 O11C22H34 A11B22C34 -525.85 3.81 -9.88 0.39 0
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222027 85293497 1 SiO5C27H44 AB5C27D44 -288.94 2.64 -8.72 0.5 0
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222028 85293506 1 SSiO4C26H42 ABC4D26E42 -98.04 6.61 -8.63 0.75 1
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222029 85293517 1 OS2N6C24H29 AB2C6D24E29 91.5 5.4 0.0 0.0 0
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222031 85293524 1 O3H26C34 A3B26C34 13.86 2.5 -8.4 -1.11 0
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222032 85293528 1 SiO3C30H46 AB3C30D46 -124.05 3.24 -8.63 0.11 0
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222033 85293529 1 NO8C26H29 AB8C26D29 -164.4 3.08 -8.91 -0.98 0
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222034 85293531 1 N3O6C26H33 A3B6C26D33 -243.25 4.77 -9.65 -0.38 0
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222035 85293532 1 NO4C31H33 AB4C31D33 -105.24 1.21 -8.64 -0.99 2
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222036 85293537 2 O2N4H9C12 A2B4C9D12 53.52 15.61 -6.88 -2.62 0
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222037 85293544 1 N3O6C26H35 A3B6C26D35 -149.44 4.97 -9.21 -0.06 0
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222038 85293550 1 ClNO5C27H32 ABC5D27E32 -201.26 3.53 -9.34 -0.83 0
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222039 85293561 1 ClSN3O6H18C22 ABC3D6E18F22 -88.07 5.84 -9.44 -1.4 0
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222041 85293582 1 INSO4C19H26 ABCD4E19F26 -149.02 5.02 -9.34 -0.88 0
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222042 85293584 1 NO2C34H37 AB2C34D37 -14.04 3.62 -8.46 0.18 0
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222043 85293587 1 BrNO6C23H26 ABC6D23E26 -167.62 3.3 -8.69 -0.35 0
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222044 85293589 1 ISiO3C21H37 ABC3D21E37 -187.25 2.18 -8.77 -0.7 0