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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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