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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166969 74759453 1 ClO3N6C23H29 AB3C6D23E29 -21.7 3.85 -7.12 -0.52 2
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166970 74759499 1 O3N6C25H34 A3B6C25D34 -28.28 7.3 -7.37 -0.04 0
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166971 74759689 1 ClFSO2N4C20H26 ABCD2E4F20G26 -91.82 4.13 -9.19 -0.87 0
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166972 74759692 1 SO3N4C23H32 AB3C4D23E32 -80.11 4.27 -9.26 -0.84 2
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166973 74759888 1 O4N6C23H34 A4B6C23D34 -69.07 21.95 -5.66 -1.33 1
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166974 74759889 1 O4N6C21H31 A4B6C21D31 -99.6 6.25 0.0 0.0 0
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166975 74760415 2 O2N3C9H14 A2B3C9D14 -116.11 2.35 -8.96 -0.16 1
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166976 74760475 1 OF2N2C18H19 AB2C2D18E19 -74.93 7.92 0.0 0.0 0
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166977 74760847 1 ClSN3O4H18C20 ABC3D4E18F20 -103.32 3.12 -8.88 -1.2 0
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166978 74760934 1 N3O3C21H23 A3B3C21D23 -71.56 11.74 -8.8 -0.52 0
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166979 74760949 1 ClO3N4C27H27 AB3C4D27E27 -65.45 5.33 -9.45 -0.24 0
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166980 74760950 1 O4N5C20H23 A4B5C20D23 -131.97 5.83 -8.72 -0.28 0
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166981 74761169 1 N2O4C19H22 A2B4C19D22 -110.65 4.15 -9.14 -0.52 0
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166982 74761170 1 N3O3C22H29 A3B3C22D29 -83.49 1.28 -9.06 -0.23 0
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166983 74761171 1 N3O5C25H27 A3B5C25D27 -130.04 4.88 -8.89 -1.12 0
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166984 74761355 1 FS2N4O5C20H21 AB2C4D5E20F21 -165.42 7.41 -9.23 -1.36 0
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166985 74761452 1 SN4O6C23H32 AB4C6D23E32 -204.9 1.43 -9.43 -0.64 0
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166986 74761893 1 BrSN2O6C19H19 ABC2D6E19F19 -178.36 4.55 -9.39 -1.32 0
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166987 74762018 1 BrSN2O3H13C15 ABC2D3E13F15 -49.47 4.6 -9.04 -1.53 0
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166988 74762019 1 BrNSO4H18C21 ABCD4E18F21 -61.7 5.11 -8.89 -1.01 1
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166989 74762020 1 SO3N6C24H35 AB3C6D24E35 -106.67 2.84 0.0 0.0 0
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166990 74762040 1 SN2O3H20C23 AB2C3D20E23 2.75 5.25 -8.79 -0.82 0
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166991 74762060 1 ClSN3O4H14C21 ABC3D4E14F21 28.39 5.55 -9.25 -1.72 0
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166992 74762691 1 BrClON2H14C20 ABCD2E14F20 79.38 4.22 -9.4 -1.44 0
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166993 74762982 1 O3C15H22 A3B15C22 -155.01 5.35 -10.17 -0.37 0