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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226044 87263304 1 SrO4C8H12 AB4C8D12 -151.63 7.85 -6.23 0.13 0
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226045 87265298 1 SiCl2O2C7H12 AB2C2D7E12 -169.98 1.92 -9.88 -0.44 0
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226046 87266015 1 O2N6C23H28 A2B6C23D28 36.47 4.35 -7.8 -0.23 0
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226047 87268554 1 O2F4N4H22C27 A2B4C4D22E27 -198.27 5.64 -8.18 -1.36 0
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226048 87268808 1 N2O2Cl3H23C26 A2B2C3D23E26 -16.79 4.14 -8.29 -0.74 0
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226049 87269986 1 ClS2N6O7C32H41 AB2C6D7E32F41 -239.85 11.02 -9.2 -0.5 0
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226050 87271526 1 N2F6O6C15H16 A2B6C6D15E16 -558.2 9.47 -8.98 -1.63 0
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226051 87283396 1 S2N3O4H21C24 A2B3C4D21E24 -54.68 2.86 -8.81 -0.99 0
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226052 87290150 1 S2N3O4F6C25H25 A2B3C4D6E25F25 -427.41 9.03 -8.97 -1.49 0
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226053 87299394 1 NO6C15H33 AB6C15D33 -278.39 3.9 -9.27 0.72 0
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226054 87299857 1 BNO2F4C6H16 ABC2D4E6F16 -458.9 14.01 -10.99 -0.3 0
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226055 87300020 2 NOC7H15 ABC7D15 -143.3 3.93 -9.15 0.65 0
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226056 87300426 1 NO6C16H35 AB6C16D35 -285.15 3.46 -10.25 0.5 0
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226057 87304205 1 BSO2N4C20H24 ABC2D4E20F24 128.83 1.23 0.0 0.0 0
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226058 87305752 1 BrN2C17H25 AB2C17D25 49.19 20.56 -7.5 -1.85 0
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226059 87305753 1 ClN4O5H21C25 AB4C5D21E25 -64.84 4.57 -8.68 -0.8 2
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226060 87307907 1 O3N4C24H30 A3B4C24D30 42.2 4.57 -8.42 -0.49 -1
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226062 87322179 1 BrSN2F3O4H26C27 ABC2D3E4F26G27 -233.99 2.44 -8.54 -1.91 0
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226063 87322622 1 ClO3C10H15 AB3C10D15 -168.28 4.21 -10.57 -0.23 0
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226064 87322623 1 O2Cl3F3N4H12C24 A2B3C3D4E12F24 -75.66 6.38 -9.74 -1.84 0
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226065 87322624 1 O2N3H13C19 A2B3C13D19 116.9 3.68 -8.66 -1.77 0
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226066 87322625 1 ClFO3N4C18H18 ABC3D4E18F18 -94.61 4.28 -8.36 -0.78 0
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226067 87322626 1 ClFO3N4C18H18 ABC3D4E18F18 -94.45 9.22 -8.62 -1.18 0
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226068 87322627 1 ClFO3N4C18H18 ABC3D4E18F18 -93.14 1.91 -8.28 -1.12 0
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226069 87322628 1 SO3C6H8 AB3C6D8 -67.72 3.19 -10.32 -0.23 0
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226070 87322629 1 SO3C6H8 AB3C6D8 -66.02 3.09 -10.79 -0.27 0
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226071 87322630 1 NRuC15H21 ABC15D21 138.08 8.92 -7.75 -1.82 0
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226073 87322632 1 PN3O3C9H20 AB3C3D9E20 -119.35 3.64 -9.32 0.61 -3
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226074 87322633 1 NTaC2H8 ABC2D8 47.35 2.43 -6.5 4.09 1
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226075 87322634 1 SiN2O2C10H31 AB2C2D10E31 -148.96 11.35 0.0 0.0 0
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226076 87322635 1 N3F4O7C23H23 A3B4C7D23E23 -434.98 5.47 -8.71 -1.35 0
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226077 87322636 1 ClF6N6H11C16 AB6C6D11E16 -170.08 8.09 -9.29 -1.96 0
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226078 87322637 1 ClF6N6H11C16 AB6C6D11E16 -170.33 8.68 -9.28 -1.95 0
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226079 87322638 1 SN2O6C16H16 AB2C6D16E16 -132.63 7.79 -10.47 -1.74 0
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226080 87322639 1 Cl2F5N5H12C17 A2B5C5D12E17 -137.04 7.8 -9.48 -1.66 0
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226081 87322640 1 Cl2F5N5H12C17 A2B5C5D12E17 -133.93 8.41 -9.16 -1.61 0
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226082 87322641 1 N3O6C23H29 A3B6C23D29 -207.75 4.18 -8.82 -0.18 0
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226083 87322642 1 N3O6C23H29 A3B6C23D29 -215.41 2.83 -8.68 -0.25 0
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226084 87322643 1 OCl2F2N5H11C14 AB2C2D5E11F14 -30.34 10.66 -9.09 -1.11 0
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226085 87322644 1 O8C173H218 A8B173C218 -303.16 6.38 -8.26 -0.6 0
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226088 87322647 1 N2O2S2F3H11C13 A2B2C2D3E11F13 -214.92 5.18 -9.37 -1.23 0
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226089 87322650 1 ClNS2O4F5H13C19 ABC2D4E5F13G19 -364.19 7.75 -8.94 -2.21 0
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226090 87322651 1 OCl2F5N5H10C16 AB2C5D5E10F16 -175.55 11.31 -9.87 -1.93 0
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226091 87322652 1 OCl2F5N5H10C16 AB2C5D5E10F16 -171.95 10.97 -9.52 -1.74 0
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226092 87322653 1 IF5N5H9C14 AB5C5D9E14 -102.06 9.07 -9.29 -1.66 1
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226093 87322655 1 NCl3F3O3H12C18 AB3C3D3E12F18 -215.2 2.46 0.0 0.0 0
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226094 87322656 1 OSN2C7H10 ABC2D7E10 -11.1 3.98 -9.38 -0.52 0
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226095 87322658 1 N3O6C17H25 A3B6C17D25 -211.84 7.75 -8.35 -0.44 0
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226096 87322683 2 NSiO3C7H19 ABC3D7E19 -442.57 3.32 -8.02 0.88 1
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226097 87322801 1 ClNO2C9H19 ABC2D9E19 -99.2 6.31 0.0 0.0 0