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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404035 135064648 1 SO4C16H18 AB4C16D18 -128.72 4.82 -8.75 -0.27 0
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404036 135064680 1 BrNO3C19H22 ABC3D19E22 -98.93 3.42 -8.4 -0.29 0
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404037 135064681 1 NPO3C23H28 ABC3D23E28 -114.91 9.32 -9.52 -0.69 0
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404038 135064682 1 ClNSO3C21H28 ABCD3E21F28 -123.95 6.02 -9.43 -0.6 0
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404039 135064683 1 BrFN2O6C26H36 ABC2D6E26F36 -319.1 3.69 -9.83 -0.66 0
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404040 135064685 1 ClNSO4C24H32 ABCD4E24F32 -167.11 7.26 -9.72 -0.63 0
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404041 135064726 1 NO4C14H25 AB4C14D25 -210.64 3.89 -9.88 -0.39 0
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404042 135064788 1 ClSO4C14H19 ABC4D14E19 -175.97 4.02 -10.27 -0.63 0
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404043 135064800 1 SC23H32 AB23C32 25.68 2.12 -8.35 0.18 0
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404044 135064801 1 SC20H26 AB20C26 39.28 1.93 -8.13 0.0 0
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404045 135064802 1 N3H19C24 A3B19C24 185.23 4.71 -9.04 -0.73 0
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404046 135064803 2 OSiC18H23 ABC18D23 -119.54 1.78 -8.92 0.09 0
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404047 135064804 1 Cl2O3C15H16 A2B3C15D16 -111.54 2.79 -10.02 -2.41 0
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404048 135064805 1 ClO3H15C17 AB3C15D17 -76.31 2.45 -9.91 -1.77 0
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404049 135064806 1 OSi2C29H48 AB2C29D48 -40.38 2.6 -9.07 0.35 0
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404050 135064807 1 N2O5C10H12 A2B5C10D12 -135.47 2.73 -9.86 -1.33 1
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404051 135064808 1 N2O5C10H13 A2B5C10D13 -138.81 0.64 0.0 0.0 0
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404052 135064809 2 NO2C6H6 AB2C6D6 -80.35 1.66 -9.42 -1.06 1
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404053 135064810 1 N2O4C12H13 A2B4C12D13 -84.36 2.59 0.0 0.0 0
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404054 135064811 1 O4H20C21 A4B20C21 -88.1 3.83 -8.04 -0.24 0
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404055 135064812 1 PO2C22H29 AB2C22D29 -102.06 4.01 -9.21 -0.23 0
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404056 135064813 1 OSF3C11H13 ABC3D11E13 -209.09 3.43 -9.32 -1.18 0
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404057 135064814 1 N3H23C27 A3B23C27 177.18 0.18 -8.72 -0.58 0
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404058 135064815 1 N3H23C27 A3B23C27 172.93 4.77 -8.72 -0.71 0
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404059 135064816 1 NO2C22H25 AB2C22D25 -25.44 2.36 -9.09 0.13 0
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404060 135064817 3 OPH15C20 ABC15D20 86.35 8.19 -8.71 -0.3 0
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404061 135064818 1 ClSiN3H22C24 ABC3D22E24 118.18 3.31 -8.93 -0.72 0
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404062 135064819 1 PSiN4O13C50H61 ABC4D13E50F61 -551.43 7.07 -8.76 -0.45 0
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404063 135064820 1 PSiN4O13C50H61 ABC4D13E50F61 -553.34 11.57 -8.89 -0.48 0
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404064 135064821 1 SiO4C24H36 AB4C24D36 -140.83 3.34 -9.03 -0.44 0
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404065 135064822 1 PO3C10H19 AB3C10D19 -181.95 4.01 -9.69 0.62 0
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404066 135064823 1 NO3C20H25 AB3C20D25 -107.69 4.78 -9.11 0.13 0
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404067 135064824 1 NO2C16H19 AB2C16D19 -34.92 5.78 -9.26 0.22 0
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404068 135064825 1 NO2C18H21 AB2C18D21 -24.07 6.31 -9.21 0.19 0
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404069 135064826 1 SF3H9C12 AB3C9D12 -66.95 3.45 -8.73 -0.88 0
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404070 135064827 1 SO3N6H8C9 AB3C6D8E9 63.72 4.59 -9.57 -1.42 0
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404071 135064828 2 NOH5C6 ABC5D6 -7.78 3.63 -8.8 -0.79 0
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404073 135064830 2 O2N4H19C36 A2B4C19D36 1028.14 16.79 -6.87 -3.16 0
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404074 135064832 1 NO2H25C26 AB2C25D26 -9.02 3.07 -7.72 -0.77 0
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404075 135064833 1 ClO2C13H23 AB2C13D23 -146.43 3.17 -9.86 0.71 0
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404076 135064834 1 NO2C18H21 AB2C18D21 -52.99 3.62 -9.12 0.12 0
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404077 135064835 1 IN3O4C26H28 AB3C4D26E28 -107.02 5.49 -8.81 -1.02 0
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404078 135064836 1 N3O4C26H29 A3B4C26D29 -127.83 3.01 -8.86 -0.41 0
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404079 135064850 1 ClSO3H13C14 ABC3D13E14 -89.66 5.0 -9.84 -0.58 0
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404080 135064939 1 BrNSO3H24C28 ABCD3E24F28 -20.55 5.22 -9.25 -0.56 0
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404081 135064940 1 NO4C17H25 AB4C17D25 -171.62 3.08 -9.46 0.07 0
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404082 135064941 1 NO3C18H27 AB3C18D27 -146.79 4.05 -9.29 0.26 0
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404083 135064942 1 SN2O8C26H26 AB2C8D26E26 -192.53 3.29 -9.37 -2.08 0
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404084 135064943 1 ClN2O2C25H31 AB2C2D25E31 -64.34 6.7 -8.48 -0.06 0
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404085 135064944 1 NF2O3C21H23 AB2C3D21E23 -205.13 5.07 -9.46 -0.42 0
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404086 135064945 1 NO3C17H21 AB3C17D21 -98.23 4.15 -8.28 -0.56 0
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404087 135064946 1 FNO5C19H24 ABC5D19E24 -272.09 6.01 -10.1 -0.66 0
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404088 135064947 1 NO3C21H25 AB3C21D25 -84.45 3.52 -8.05 -0.12 0
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404089 135064948 3 O2C5H6 A2B5C6 -261.96 2.05 -9.68 -0.22 0
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404090 135064949 1 BrO3C14H17 AB3C14D17 -123.67 4.5 -10.13 -1.25 0
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404091 135064950 1 FNO2C10H10 ABC2D10E10 -114.78 5.05 -10.11 -0.59 0
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404092 135064952 1 NSO3C16H25 ABC3D16E25 -103.6 4.13 -9.9 -0.46 0
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404093 135064953 1 NSO4C12H17 ABC4D12E17 -115.97 7.76 -9.65 -0.45 0
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404094 135064954 1 BrOF3C12H20 ABC3D12E20 -249.66 5.69 -10.4 -0.12 0
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404095 135064955 1 NS2O4H21C22 AB2C4D21E22 -71.85 2.76 -9.82 -0.86 0
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404096 135064956 1 O2H12C13 A2B12C13 -29.61 3.67 -9.86 -0.55 0
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404097 135064959 2 OC6H8 AB6C8 -54.64 2.77 -9.43 0.12 0
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404098 135064960 1 FO2H13C16 AB2C13D16 -47.78 1.79 -9.86 -0.9 0
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404099 135064961 1 SN2O5C14H20 AB2C5D14E20 -110.84 4.77 -10.1 -1.72 0
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404100 135064962 1 NO4C15H19 AB4C15D19 -161.01 3.46 -9.75 -0.18 0
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404101 135064964 2 ON2H5C6 AB2C5D6 40.42 4.0 -10.28 -0.97 0
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404102 135064965 1 SO4H14C15 AB4C14D15 -111.51 6.31 -9.22 -0.89 0
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404103 135064966 4 OC5H5 AB5C5 -106.49 5.43 -9.48 -0.76 0
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404104 135064969 1 SN2O5C19H20 AB2C5D19E20 -67.27 3.48 -9.8 -1.92 0
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404105 135064970 1 NO4Cl5H14C20 AB4C5D14E20 -109.93 2.49 -9.61 -1.3 0
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404106 135064972 1 SN3O7H23C26 AB3C7D23E26 -184.92 4.16 -8.48 -0.74 0
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404107 135064974 1 SiO3C17H34 AB3C17D34 -218.25 2.03 -9.86 0.43 0
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404108 135064975 1 SN2O3C16H16 AB2C3D16E16 -43.96 2.01 -9.03 -0.56 0
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404109 135064976 1 ClSN2O3H15C16 ABC2D3E15F16 -54.78 2.1 -9.08 -0.55 0
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404110 135064977 1 NO2C17H21 AB2C17D21 -50.54 5.57 -9.55 -0.41 0