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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175992 75978986 1 BrSN2O3C16H22 ABC2D3E16F22 -93.6 7.11 0.0 0.0 0
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175993 75978987 1 BrSN2O3C16H21 ABC2D3E16F21 -115.24 4.85 -9.11 -0.8 1
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175994 75979631 1 ClN7C22H31 AB7C22D31 95.83 5.25 0.0 0.0 0
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175995 75980182 1 BrO3N5H12C14 AB3C5D12E14 14.34 6.99 -9.31 -1.12 0
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175996 75980183 1 O2N6C15H18 A2B6C15D18 26.98 4.88 -9.46 -1.15 0
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175997 75980621 1 ClO3H15C17 AB3C15D17 -73.28 2.64 -8.94 -1.09 0
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175998 75980843 1 SCl2N2O4C21H28 AB2C2D4E21F28 -197.68 6.35 -8.9 -1.25 0
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175999 75980844 1 SCl2N2O4C21H28 AB2C2D4E21F28 -187.97 3.25 -8.61 -1.07 0
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176000 75981031 1 F2N2O5H20C23 A2B2C5D20E23 -177.1 2.75 -8.88 -0.85 0
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176001 75981032 1 F2N2O4C17H22 A2B2C4D17E22 -210.76 5.65 -9.12 -0.73 0
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176002 75981033 1 F2N2O4C17H20 A2B2C4D17E20 -160.27 6.31 -9.02 -0.55 0
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176003 75981034 1 NF2O4C18H19 AB2C4D18E19 -176.49 3.48 -9.08 -0.76 1
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176004 75981395 1 SN3O5C21H30 AB3C5D21E30 -108.82 22.45 0.0 0.0 0
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176005 75981406 1 SN2O4C22H32 AB2C4D22E32 -155.1 4.71 -8.82 -1.19 1
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176006 75981407 1 SN2O5C21H33 AB2C5D21E33 -182.0 7.26 0.0 0.0 0
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176007 75981408 1 SN2O5C21H32 AB2C5D21E32 -208.95 3.49 -8.83 -0.73 0
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176008 75981440 1 SN2O3H16C23 AB2C3D16E23 11.43 4.09 -9.09 -1.22 0
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176009 75981441 1 NSO2H17C20 ABC2D17E20 -4.34 3.21 -8.82 -0.96 0
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176010 75981442 1 SN2O3H20C24 AB2C3D20E24 -41.13 3.04 -8.92 -1.07 0
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176011 75981443 1 SN2O3H20C25 AB2C3D20E25 -28.32 2.67 -9.16 -1.23 0
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176012 75981444 1 NSO5H21C25 ABC5D21E25 -81.16 5.45 -8.82 -1.12 0
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176013 75981445 1 SN2O3H22C25 AB2C3D22E25 -38.99 3.99 -8.85 -0.96 0
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176014 75981446 1 NO3C18H29 AB3C18D29 -142.14 4.03 -8.27 0.19 0
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176015 75981447 1 N2O2C17H26 A2B2C17D26 -104.9 4.3 -8.82 0.31 0
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176016 75981448 1 OSN2C15H20 ABC2D15E20 1.53 3.61 -8.68 -0.34 0
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176017 75982045 1 NO3C19H21 AB3C19D21 -92.08 4.02 -9.03 -0.24 0
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176018 75982135 1 SN2O3C18H20 AB2C3D18E20 -53.45 9.03 -9.25 -0.46 1
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176019 75982242 1 FN2O3C19H20 AB2C3D19E20 -94.9 1.96 0.0 0.0 0
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176020 75982475 2 NO2C9H9 AB2C9D9 -38.35 5.01 -8.93 -1.32 0
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176021 75982541 1 FN3O3C17H20 AB3C3D17E20 -85.31 2.94 -8.85 -1.55 0
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176022 75982810 1 FNO3C13H14 ABC3D13E14 -149.08 2.67 -9.69 -1.1 0
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176023 75983341 2 Cl3N4O4C22H32 A3B4C4D22E32 -427.07 5.21 -8.49 -0.33 0
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176024 75983408 1 SN2F3O4H23C24 AB2C3D4E23F24 -168.76 8.51 -9.31 -0.53 0
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176025 75983584 1 FNO4C14H18 ABC4D14E18 -221.69 5.4 -9.83 -0.28 0
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176027 75984141 1 ClO6N8C54H67 AB6C8D54E67 -233.0 8.3 -8.47 -0.48 0
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176028 75984322 2 O4N5C28H42 A4B5C28D42 -413.92 8.65 -9.32 -0.07 0
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176029 75984323 2 ClN4O4C28H40 AB4C4D28E40 -434.22 4.46 -9.21 -0.12 0
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176030 75984324 2 N4O4C28H39 A4B4C28D39 -353.36 5.42 -9.16 0.08 0
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176031 75984325 14 OC3H5 AB3C5 -710.18 4.4 -9.45 0.66 0
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176032 75984859 1 CaF2N4O8C54H56 AB2C4D8E54F56 -311.74 29.84 -7.93 -1.69 0
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176033 75984960 1 O9C27H34 A9B27C34 -328.49 2.08 -8.33 -0.19 0
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176034 75984961 1 O9C28H36 A9B28C36 -333.32 2.17 -8.36 -0.19 0
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176035 75984987 1 O4C25H46 A4B25C46 -266.98 3.6 -9.54 0.56 0
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176036 75986219 1 NBr2O2H15C16 AB2C2D15E16 -21.75 7.92 -8.73 -1.25 0
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176037 75986475 1 FO3N4C25H25 AB3C4D25E25 -99.77 2.12 -8.54 -0.55 0
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176038 75986670 2 NO10C14H24 AB10C14D24 -922.72 5.73 -10.16 0.34 0
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176039 75987097 1 N6O7C27H34 A6B7C27D34 -153.82 1.96 -8.93 -0.91 0
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176040 75987098 1 O5N7C27H35 A5B7C27D35 -71.65 3.7 -8.94 -0.88 0
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176041 75987651 1 NPSiO15C68H90 ABCD15E68F90 -642.45 6.99 -8.57 -0.04 0
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176042 75987652 1 PSiO15C62H75 ABC15D62E75 -619.19 7.54 -8.94 -0.51 2