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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216923 85086992 2 NO2C8H16 AB2C8D16 -240.61 3.13 -9.66 0.69 0
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216924 85086994 1 OSiC20H32 ABC20D32 -64.64 2.24 -9.02 0.62 0
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216925 85086995 1 ClOSN4H13C14 ABCD4E13F14 41.25 8.14 -9.28 -1.08 0
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216926 85086997 1 BrO2H13C16 AB2C13D16 -38.32 3.89 -9.67 -0.45 0
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216927 85086998 1 Cl2N2H14C17 A2B2C14D17 72.3 6.47 -7.95 -1.15 0
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216928 85086999 1 NF3O4C14H14 AB3C4D14E14 -295.12 5.79 -9.26 -1.11 0
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216929 85087000 1 NO8C13H19 AB8C13D19 -360.47 3.51 -10.07 0.28 0
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216930 85087001 1 NPO3C17H20 ABC3D17E20 -127.43 3.46 -9.37 -0.17 0
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216931 85087002 1 SN3O4H11C14 AB3C4D11E14 -43.64 5.15 -9.68 -2.11 0
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216932 85087004 1 NSO6C13H19 ABC6D13E19 -271.15 3.6 -8.78 0.28 0
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216933 85087005 1 NO4C18H23 AB4C18D23 -140.16 4.82 -8.54 -0.34 0
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216934 85087006 1 NO2C21H23 AB2C21D23 -16.58 6.5 -8.97 -1.19 0
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216935 85087007 1 NO3C19H27 AB3C19D27 -54.46 2.74 -8.93 0.34 0
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216936 85087008 1 O2N3C18H27 A2B3C18D27 -31.76 2.1 -9.44 -0.78 0
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216937 85087010 1 NOSiC19H31 ABCD19E31 -63.58 3.36 -8.66 0.16 0
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216938 85087013 1 IOSC11H11 ABCD11E11 -5.35 1.39 -8.86 -1.27 0
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216939 85087014 1 PF3O4C12H22 AB3C4D12E22 -425.58 4.14 -10.23 0.83 0
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216940 85087015 1 ON2F3H13C17 AB2C3D13E17 -67.67 3.48 -8.84 -1.71 0
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216941 85087016 2 O2H7C10 A2B7C10 -88.14 2.76 -9.21 -1.48 0
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216942 85087017 1 N2O3H14C19 A2B3C14D19 19.91 2.25 -8.58 -1.1 0
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216943 85087018 1 N4O4C15H20 A4B4C15D20 -138.43 1.87 -9.28 -0.34 0
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216944 85087019 1 SO3N4H12C14 AB3C4D12E14 93.73 4.13 -9.05 -2.24 0
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216945 85087020 2 NOH9C10 ABC9D10 80.86 2.34 -8.71 -0.13 0
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216946 85087021 1 FO3C19H23 AB3C19D23 -154.82 4.12 -9.09 -0.06 0
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216947 85087022 1 SN2O3C16H18 AB2C3D16E18 -57.49 3.66 -9.4 -1.52 0
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216948 85087023 1 O4C19H26 A4B19C26 -177.73 9.64 -9.59 -0.5 0
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216949 85087024 1 SO3C18H22 AB3C18D22 -89.21 2.51 -8.67 -0.12 0
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216950 85087025 1 O3C20H30 A3B20C30 -171.68 4.92 -9.5 0.62 0
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216951 85087026 1 O3C20H30 A3B20C30 -62.52 4.94 -9.75 -0.21 0
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216952 85087027 2 NC11H13 AB11C13 48.89 2.6 -8.58 0.33 0
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216953 85087028 1 SiO2C19H30 AB2C19D30 -112.74 2.09 -8.79 1.12 0
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216954 85087030 1 ClN2O6C12H17 AB2C6D12E17 -280.95 4.94 -10.27 -0.67 0
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216955 85087031 1 ClSiO2C17H19 ABC2D17E19 -90.42 5.6 -9.03 -0.28 0
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216956 85087032 1 BrO3C14H23 AB3C14D23 -161.98 6.05 -9.81 -0.61 0
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216957 85087033 1 NOF3H16C18 ABC3D16E18 -134.44 3.59 -9.54 -0.72 0
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216958 85087034 1 SN3O6C11H17 AB3C6D11E17 -198.44 8.42 -8.32 -1.06 0
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216959 85087035 1 SN3O6C11H17 AB3C6D11E17 -210.98 7.07 -8.3 -0.86 0
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216960 85087036 1 NO3H17C20 AB3C17D20 9.98 2.72 -9.15 -0.82 0
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216961 85087037 1 O2N3H17C19 A2B3C17D19 37.1 3.4 -8.99 -1.09 0
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216962 85087038 1 SN3O3C15H21 AB3C3D15E21 -94.92 3.12 -9.44 -0.61 0
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216963 85087040 1 ClNO3C17H18 ABC3D17E18 -85.52 2.84 -8.56 -0.32 0
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216964 85087041 1 ClO2N3C16H18 AB2C3D16E18 24.97 5.33 -8.75 -0.3 0
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216965 85087042 1 ClN3C19H22 AB3C19D22 55.34 1.75 -8.28 0.12 0
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216966 85087043 1 BN2O3C17H29 AB2C3D17E29 -202.28 3.23 -9.15 0.85 -1
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216967 85087044 1 BN2O3C17H28 AB2C3D17E28 -165.05 2.09 0.0 0.0 0
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216968 85087045 1 N2O9C11H16 A2B9C11D16 -382.43 5.14 -10.75 -1.56 0
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216969 85087052 2 NC11H14 AB11C14 38.01 1.45 -8.94 -0.58 0
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216970 85087053 1 ClN2O7C11H15 AB2C7D11E15 -311.9 5.06 -10.44 -0.31 0
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216971 85087054 1 ClPS2C14H22 ABC2D14E22 -4.24 19.17 -7.04 -1.17 1
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216972 85087055 1 PS2C14H22 AB2C14D22 10.22 8.01 0.0 0.0 1
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216973 85087057 1 OSN3C11H12 ABC3D11E12 61.39 4.77 0.0 0.0 0
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216974 85087059 1 BrOC17H21 ABC17D21 -29.59 3.01 -9.46 -0.28 0
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216975 85087060 1 NO7C15H15 AB7C15D15 -210.27 4.75 -9.48 -1.0 0
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216976 85087064 1 NO5C17H23 AB5C17D23 -185.65 3.53 -9.84 -0.18 0
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216977 85087065 1 N3O4C16H23 A3B4C16D23 -138.76 0.36 -8.39 -0.47 0
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216978 85087066 1 ON5C18H23 AB5C18D23 61.78 2.21 -8.93 0.09 0
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216979 85087067 1 NSO4C16H19 ABC4D16E19 -131.25 6.24 -9.82 -0.64 0
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216980 85087069 1 NO4C18H27 AB4C18D27 -200.57 3.56 -9.42 0.25 0
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216981 85087070 1 NO4C18H27 AB4C18D27 -196.57 2.09 -9.4 0.01 0
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216982 85087072 1 NOC22H27 ABC22D27 6.18 3.94 -9.47 -0.29 0
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216983 85087074 1 ClNO2S2H8C14 ABC2D2E8F14 -23.68 5.35 -9.2 -1.76 0
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216984 85087075 1 ClNO2S2H8C14 ABC2D2E8F14 -21.86 3.04 -9.19 -1.7 0
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216985 85087076 1 OCl2N3H13C15 AB2C3D13E15 45.66 2.26 -9.07 -0.42 0
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216986 85087077 1 Cl2N5H13C14 A2B5C13D14 73.21 3.71 -8.32 -0.28 0
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216987 85087078 1 BO5C17H26 AB5C17D26 -197.88 2.46 0.0 0.0 0
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216988 85087079 1 SF3O7C9H13 AB3C7D9E13 -453.43 2.8 -10.66 -1.53 0
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216989 85087080 1 F3O5C14H17 A3B5C14D17 -383.49 4.17 -10.95 0.11 0
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216990 85087081 1 O3N4H12C17 A3B4C12D17 37.21 2.63 -10.02 -3.24 0
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216991 85087082 1 O6C17H22 A6B17C22 -255.42 7.49 -10.2 -0.58 0
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216992 85087083 1 O6C17H22 A6B17C22 -233.43 6.47 -8.74 -0.16 0
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216993 85087085 2 ON2C9H9 AB2C9D9 64.18 2.99 -9.54 -1.59 0
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216994 85087087 1 ON4C19H22 AB4C19D22 31.6 3.36 -8.48 -0.26 0
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216995 85087091 1 ClON2H15C19 ABC2D15E19 79.81 1.7 -9.34 -0.74 0
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216996 85087092 1 BrPO4C11H16 ABC4D11E16 -196.11 3.14 -9.87 -0.5 0
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216997 85087093 1 N3O7C13H13 A3B7C13D13 -15.01 4.95 -9.65 -2.06 0