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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151311 53801046 2 ON2C6H6 AB2C6D6 21.39 2.35 -8.73 -1.64 0
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151312 53801047 1 OF2C38H52 AB2C38D52 -156.6 3.7 -8.8 -0.31 0
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151313 53801049 1 ClNSO3H10C15 ABCD3E10F15 28.18 6.17 -8.89 -1.21 0
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151314 53801051 1 Cl2O3C11H12 A2B3C11D12 -123.32 2.81 -9.46 -0.51 0
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151315 53801052 1 O4C17H18 A4B17C18 -105.84 8.67 -9.28 -0.21 0
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151316 53801053 1 NPSF2O5C16H16 ABCD2E5F16G16 -318.69 3.47 -9.15 -0.8 0
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151317 53801054 1 FNO4C44H86 ABC4D44E86 -424.67 1.95 -9.74 0.5 0
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151318 53801057 1 SiN3O3C8H23 AB3C3D8E23 -227.81 5.35 -9.08 0.71 0
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151319 53801058 1 NSO2C10H21 ABC2D10E21 -108.52 4.88 -8.81 1.0 0
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151320 53801062 2 O3C8H13 A3B8C13 -301.96 4.63 -10.44 -0.32 0
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151321 53801065 1 ClIN4H12C19 ABC4D12E19 127.24 6.29 -9.44 -1.35 0
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151322 53801067 1 N2F3H9C11 A2B3C9D11 -97.66 5.89 -9.93 -0.37 0
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151323 53801068 1 NCl2O3C16H21 AB2C3D16E21 -139.78 3.35 -9.56 -0.66 0
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151324 53801069 1 N2O3C20H24 A2B3C20D24 -48.23 4.92 -8.35 -0.16 0
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151325 53801071 1 N3O5C33H43 A3B5C33D43 -127.51 3.49 -8.37 -0.63 0
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151326 53801073 3 OC4H6 AB4C6 -152.39 3.49 -10.12 0.07 1
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151327 53801074 1 N2O2C8H13 A2B2C8D13 -42.93 2.38 0.0 0.0 0
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151328 53801075 2 NO2C11H12 AB2C11D12 -73.48 3.47 -9.31 -0.63 0
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151329 53801076 1 S2O4C11H12 A2B4C11D12 -120.14 5.53 -9.7 -1.13 0
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151330 53801081 1 O6H8C15 A6B8C15 -165.49 8.7 -10.22 -1.92 0
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151331 53801082 1 SO2N3C15H21 AB2C3D15E21 -37.81 8.16 -8.82 -0.27 0
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151332 53801085 2 NO6C22H25 AB6C22D25 -395.18 6.81 -8.22 -1.95 0
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151333 53801086 1 N2O2C31H46 A2B2C31D46 -132.68 6.67 -8.93 -0.15 0
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151334 53801087 1 NSO7C22H37 ABC7D22E37 -334.59 6.63 -9.83 -0.31 0
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151335 53801088 1 O2C15H24 A2B15C24 -119.24 5.2 -10.19 0.29 0