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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21046 587002 1 Cl2N2O4H20C23 A2B2C4D20E23 -112.55 3.01 -8.44 -0.92 0
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21047 587011 1 NSC7H9 ABC7D9 24.19 6.53 -8.13 -0.72 0
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21048 587012 1 NSC7H9 ABC7D9 22.72 6.25 -8.2 -0.6 0
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21049 587013 1 NSC7H9 ABC7D9 24.01 6.64 -8.19 -0.62 0
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21050 587031 1 ClC12H15 AB12C15 7.28 2.18 -9.46 -0.01 0
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21051 587040 2 O2C17H24 A2B17C24 -215.54 2.84 -9.49 -0.53 0
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21052 587047 1 ClNSO2H14C19 ABCD2E14F19 7.23 3.17 -9.32 -1.07 0
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21053 587048 1 ClO2N3C18H18 AB2C3D18E18 -29.71 5.96 -8.87 -0.51 0
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21054 587049 1 O2S2H12C13 A2B2C12D13 -14.35 5.5 -8.45 -1.02 0
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21055 587050 1 SiO3C9H14 AB3C9D14 -158.01 3.12 -9.82 -0.48 0
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21056 587051 1 PO3C7H17 AB3C7D17 -218.49 2.05 -10.45 1.15 0
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21057 587054 2 ClON3H9C14 ABC3D9E14 106.76 1.52 -9.05 -1.4 0
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21058 587055 1 Cl2N2O2H20C27 A2B2C2D20E27 -7.74 3.39 -8.75 -0.83 0
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21059 587056 1 N2O4C15H20 A2B4C15D20 -198.01 8.99 -9.73 -0.44 0
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21060 587064 1 ClNOH16C19 ABCD16E19 12.0 4.02 -8.89 -0.64 0
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21061 587065 1 BrNCl2O2H12C20 ABC2D2E12F20 -15.1 3.91 -9.27 -1.21 0
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21062 587066 1 ClSN3O3H10C15 ABC3D3E10F15 19.23 4.06 -9.4 -1.82 0
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21063 587068 1 ClO2N4H7C9 AB2C4D7E9 40.77 6.74 -9.85 -1.05 0
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21064 587069 1 ON2Cl3H13C20 AB2C3D13E20 31.17 1.33 -8.97 -0.93 0
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21065 587070 1 OCl2N2S2H4C11 AB2C2D2E4F11 64.45 2.64 -9.27 -2.26 0
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21066 587071 1 BrClNO3H7C13 ABCD3E7F13 8.14 5.44 -10.22 -1.69 0
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21067 587072 1 ClSN2O3H11C16 ABC2D3E11F16 -52.46 7.0 -9.35 -1.27 0
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21068 587088 1 ClO2H19C24 AB2C19D24 -0.46 3.95 -9.65 -0.62 0
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21069 587090 1 FNO3H4C7 ABC3D4E7 -51.33 3.84 -10.79 -2.04 0
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21070 587093 1 ClON3F6H14C18 ABC3D6E14F18 -302.43 9.97 -10.06 -0.91 0
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21071 587096 1 SO3C7H8 AB3C7D8 -102.68 3.68 -9.58 -0.97 0
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21072 587097 1 ClO2N3H10C11 AB2C3D10E11 21.79 8.02 -9.37 -0.95 0
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21073 587099 1 ClN2O3F6H15C19 AB2C3D6E15F19 -402.54 6.09 -9.52 -1.1 0
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21074 587100 1 ClN2F3O3C20H20 AB2C3D3E20F20 -255.69 6.18 -9.26 -0.79 0
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21075 587102 1 ClOSN2H9C13 ABCD2E9F13 44.23 3.07 -9.56 -1.5 0
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21076 587104 1 ClN2O2H9C12 AB2C2D9E12 -25.31 4.52 -9.02 -0.68 0
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21077 587105 1 ClN2O2H9C12 AB2C2D9E12 -25.72 5.24 -9.03 -0.72 0
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21078 587106 1 ClN2O2H9C12 AB2C2D9E12 -26.08 4.53 -9.36 -0.69 0
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21079 587107 1 ClNO3H10C14 ABC3D10E14 -83.02 7.6 -9.57 -1.2 0
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21080 587111 1 ClOF3N3H9C13 ABC3D3E9F13 -128.52 0.85 -9.55 -1.03 0
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21081 587116 1 ClON3H10C13 ABC3D10E13 65.0 2.53 -9.66 -1.21 0
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21082 587118 1 ClN2O4H9C13 AB2C4D9E13 -95.91 3.17 -10.07 -1.09 0
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21083 587122 1 ClO2N3H16C20 AB2C3D16E20 -11.91 2.2 -9.19 -0.91 0
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21084 587124 2 ClNOH7C10 ABCD7E10 -22.85 4.52 -8.93 -1.02 0
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21085 587125 1 ClN2F3O3H16C18 AB2C3D3E16F18 -237.4 3.51 -9.18 -0.9 0
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21086 587126 1 BrClFO2H7C13 ABCD2E7F13 -76.58 3.61 -9.54 -1.09 0
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21087 587133 1 Cl2O2H8C13 A2B2C8D13 -44.94 0.59 -9.42 -1.2 0
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21088 587144 1 ClNO5H16C17 ABC5D16E17 -165.32 4.67 -8.83 -0.97 0
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21089 587154 1 ClNOH14C19 ABCD14E19 21.89 2.95 -8.76 -0.83 0
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21090 587160 1 ClNO3H12C15 ABC3D12E15 -86.99 2.8 -9.39 -1.08 0
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21091 587164 1 ClNO2H12C19 ABC2D12E19 -3.25 3.93 -8.67 -0.95 0
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21092 587170 1 ClNO3H10C15 ABC3D10E15 -63.37 2.8 -9.17 -0.86 0
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21093 587171 1 ClO2N6H15C19 AB2C6D15E19 18.74 4.53 -9.14 -0.96 0
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21094 587178 1 ClNO2H6C7 ABC2D6E7 -33.54 2.25 -9.77 -1.0 0
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21095 587179 1 ClNO3H12C15 ABC3D12E15 -85.46 5.89 -10.07 -1.23 0