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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403617 135061042 1 O8C17H24 A8B17C24 -312.07 0.93 -9.74 0.06 0
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403618 135061048 1 S2O3C21H28 A2B3C21D28 -74.41 4.1 -8.3 -0.16 0
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403619 135061064 1 N2O2H12C17 A2B2C12D17 5.66 7.33 -8.96 -1.88 0
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403620 135061067 1 N3C23H23 A3B23C23 85.26 6.38 -8.58 -0.35 0
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403621 135061068 1 SN2C22H22 AB2C22D22 82.35 4.24 -8.5 -0.52 0
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403622 135061069 1 N2C17H18 A2B17C18 49.48 4.35 -8.54 -0.47 0
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403623 135061070 1 NSO5H27C31 ABC5D27E31 -96.0 7.87 -8.88 -0.48 0
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403624 135061071 1 NSO5H31C35 ABC5D31E35 -74.04 7.91 -9.13 -0.5 0
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403625 135061072 1 NO2C19H19 AB2C19D19 -17.34 3.83 -8.74 -0.13 0
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403626 135061073 1 N2C27H28 A2B27C28 68.93 3.89 -7.83 0.0 0
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403627 135061074 1 N2O2C27H28 A2B2C27D28 4.63 4.81 -7.81 -0.16 0
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403628 135061075 1 OF3H19C23 AB3C19D23 -123.28 3.27 -9.28 -0.65 0
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403629 135061076 1 O3C15H20 A3B15C20 -105.16 2.65 -9.68 -0.62 0
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403630 135061078 2 OC8H12 AB8C12 -70.17 0.77 -9.32 0.37 0
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403631 135061079 1 BrOH13C16 ABC13D16 26.36 2.51 -9.08 -0.96 0
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403632 135061080 1 SO3C19H24 AB3C19D24 -90.42 6.81 -9.26 -0.57 0
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403633 135061081 1 BO4C14H27 AB4C14D27 -300.82 3.78 -10.21 1.14 0
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403634 135061082 1 BO4C15H29 AB4C15D29 -303.98 4.1 -10.26 1.08 0
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403635 135061083 2 BO2H9C12 AB2C9D12 -177.23 1.54 -8.69 -0.38 0
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403636 135061084 2 BO2H9C12 AB2C9D12 -179.08 1.32 -8.77 -0.4 -1
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403637 135061085 1 BO4C21H22 AB4C21D22 -155.94 8.34 0.0 0.0 0
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403638 135061086 1 BO2F3C21H24 AB2C3D21E24 -298.91 3.38 -9.37 -0.38 0
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403639 135061087 1 NH23C24 AB23C24 54.44 2.94 -8.18 -0.12 0
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403640 135061088 1 BO4C23H33 AB4C23D33 -256.89 5.49 -9.3 -0.41 0
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403641 135061089 1 SiO4C26H44 AB4C26D44 -256.6 4.11 -8.83 0.43 0
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403642 135061090 1 O3C13H22 A3B13C22 -179.23 4.87 -10.13 0.69 0
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403643 135061092 1 SSiO3C24H38 ABC3D24E38 -123.23 5.68 -8.92 -0.63 0
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403644 135061132 1 FNO2S2H28C29 ABC2D2E28F29 -16.89 3.44 -8.12 -0.27 1
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403645 135061142 1 NOPdF2P2C24H38 ABCD2E2F24G38 -99.63 6.9 0.0 0.0 0
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403646 135061144 1 SeSiN2O5C28H34 ABC2D5E28F34 -213.05 5.5 -8.82 -0.73 0
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403647 135061171 1 FON3H14C16 ABC3D14E16 -21.31 4.44 -8.61 -0.77 0
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403649 135061208 3 NC5H9 AB5C9 65.62 1.42 -8.49 0.41 0
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403650 135061209 2 OC10H13 AB10C13 -50.03 3.03 -8.98 -0.08 0
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403651 135061210 2 N2O3C18H24 A2B3C18D24 -209.11 3.01 -9.75 -0.27 0
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403652 135061212 1 C17H22 A17B22 52.85 0.6 -9.3 0.43 0
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403653 135061213 1 OSiC24H38 ABC24D38 -65.1 1.72 -8.67 0.38 0
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403654 135061214 2 F3C8H9 A3B8C9 -336.39 4.26 -10.38 -1.1 0
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403655 135061215 2 OC5H6 AB5C6 -38.39 4.95 -9.46 0.31 0
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403656 135061216 2 O2C6H7 A2B6C7 -127.96 3.94 -9.58 -0.04 0
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403657 135061217 2 O2H7C8 A2B7C8 -75.43 4.01 -9.46 -0.38 0
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403658 135061218 1 N2C17H26 A2B17C26 3.22 4.56 -8.48 -0.39 0
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403659 135061219 1 BrSO3C21H21 ABC3D21E21 -62.7 8.13 -9.43 -0.74 0
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403660 135061220 1 BrSO3C21H21 ABC3D21E21 -50.08 6.68 -9.47 -0.71 0
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403661 135061221 1 OC18H20 AB18C20 5.2 1.85 -8.62 0.31 0
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403662 135061222 1 N2C13H20 A2B13C20 33.1 1.96 -8.4 -0.16 0
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403664 135061224 1 BNSiO6C27H34 ABCD6E27F34 -308.31 5.67 -9.12 -0.53 0
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403665 135061225 1 BSiO3C19H31 ABC3D19E31 -255.55 2.18 -8.64 0.6 0
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403666 135061227 1 NSSiO2C21H29 ABCD2E21F29 -68.54 5.8 -9.41 -0.76 0
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403667 135061228 1 NSSiO2C21H29 ABCD2E21F29 -68.82 4.68 -9.19 -0.71 0
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403668 135061229 1 BSiO2C23H33 ABC2D23E33 -172.9 2.85 -8.72 0.43 0