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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407206 135079562 1 SN2O2C19H20 AB2C2D19E20 -25.78 4.86 -8.51 -0.5 0
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407207 135079563 1 ClNO2H14C16 ABC2D14E16 -41.36 2.04 -9.58 -0.67 0
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407209 135079565 1 OSN2H14C15 ABC2D14E15 20.82 2.49 -8.68 -0.59 0
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407210 135079566 1 SN2Si2O4C21H34 AB2C2D4E21F34 -189.48 3.51 -7.99 -0.38 0
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407211 135079567 1 NSO3C19H19 ABC3D19E19 1.99 6.47 -9.3 -0.65 0
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407212 135079569 1 OCl2H12C16 AB2C12D16 6.58 4.21 -9.47 -0.62 0
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407213 135079571 1 BrSN2O2C26H31 ABC2D2E26F31 -34.54 3.15 -8.45 -0.45 0
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407214 135079573 1 OSN2H14C17 ABC2D14E17 51.16 7.18 -8.66 -0.64 0
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407215 135079574 1 NSSiO2C13H21 ABCD2E13F21 -103.67 3.97 -9.04 -1.0 0
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407216 135079576 1 SB2N2O2C22H24 AB2C2D2E22F24 -151.5 3.07 -7.79 -0.32 0
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407217 135079581 2 OH8C9 AB8C9 25.18 3.09 -9.04 -0.62 0
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407218 135079585 1 B2O4C15H30 A2B4C15D30 -369.19 3.27 -10.18 1.62 0
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407219 135079589 1 ClSO2N5C19H22 ABC2D5E19F22 32.7 6.97 -8.3 -0.8 0
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407220 135079590 1 NO3H11C17 AB3C11D17 37.96 6.55 -9.73 -1.63 0
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407221 135079592 1 ClNOH14C15 ABCD14E15 -10.65 1.62 -8.74 -0.71 0
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407222 135079593 1 ClNC19H26 ABC19D26 120.05 42.77 -5.79 -2.59 0
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407223 135079614 1 NO4F5C19H20 AB4C5D19E20 -343.65 3.58 -9.72 -2.08 0
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407224 135079615 1 SN2O4C22H28 AB2C4D22E28 -127.66 4.61 -9.32 -0.6 0
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407225 135079617 1 ON3H21C23 AB3C21D23 63.05 1.73 -8.91 -0.46 0
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407226 135079618 1 SN2O2C12H14 AB2C2D12E14 -14.42 1.11 -8.94 -0.62 1
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407227 135079619 1 SN2O2C12H15 AB2C2D12E15 -0.56 4.23 0.0 0.0 0
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407228 135079620 1 O5C20H22 A5B20C22 -13.85 3.92 -8.63 -0.13 0
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407229 135079621 2 OH19C24 AB19C24 292.12 3.65 -8.36 -0.86 0
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407230 135079622 1 SO4C14H18 AB4C14D18 -150.06 5.25 -10.06 -0.66 0
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407231 135079623 1 NO3F6H17C21 AB3C6D17E21 -420.09 3.4 -9.49 -1.31 0
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407232 135079624 1 N2O3H10C14 A2B3C10D14 35.95 6.82 -10.15 -1.94 0
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407233 135079625 2 OC8H8 AB8C8 48.55 2.86 -9.22 -0.19 0
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407234 135079626 1 BO5C38H43 AB5C38D43 -170.16 3.92 -9.37 -0.02 0
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407235 135079627 1 BNSO4C19H26 ABCD4E19F26 -174.85 7.54 -9.43 -0.24 0
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407236 135079628 1 SiN2O2C20H34 AB2C2D20E34 -148.54 2.11 -8.39 0.15 0
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407237 135079629 1 BF2N2O2C19H25 AB2C2D2E19F25 -305.23 7.84 -9.11 -1.13 -1
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407238 135079630 1 BF2N2O2C19H24 AB2C2D2E19F24 -262.19 9.17 0.0 0.0 0
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407239 135079631 1 NO3C13H21 AB3C13D21 -147.21 1.71 -10.5 -0.47 0
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407240 135079632 4 NC6H6 AB6C6 144.15 3.34 -8.49 -0.21 0
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407241 135079633 3 OC10H10 AB10C10 -22.34 2.64 -8.8 -0.02 0
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407242 135079634 1 BNO2C22H28 ABC2D22E28 -138.83 5.44 -8.44 -0.44 0
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407243 135079635 1 NSO6C24H33 ABC6D24E33 -204.56 5.29 -9.47 -0.4 0
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407244 135079636 1 BrN2O4H9C11 AB2C4D9E11 -88.27 5.22 -9.84 -1.9 0
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407245 135079637 1 SiO2C26H36 AB2C26D36 -103.94 1.81 -8.34 -0.45 0
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407246 135079638 2 NOC8H12 ABC8D12 -31.15 1.79 -9.09 -0.67 0
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407247 135079640 1 SiO2C19H36 AB2C19D36 -169.49 3.03 -8.43 0.83 0
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407248 135079641 1 O2C23H24 A2B23C24 -2.22 2.03 -9.32 0.11 0
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407249 135079642 1 BrPO3S3C20H24 ABC3D3E20F24 -134.98 2.46 -8.8 -1.17 0
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407250 135079643 1 BrFON2H4C7 ABCD2E4F7 0.41 3.71 -9.3 -1.19 0
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407251 135079644 1 FNSO3C22H24 ABCD3E22F24 -91.25 7.85 -9.38 -0.48 0
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407252 135079645 1 NSO3C18H25 ABC3D18E25 -83.68 6.11 -9.42 -0.31 0
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407253 135079650 1 NSO2C28H35 ABC2D28E35 -1.69 6.03 -9.14 -0.43 1
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407254 135079670 1 NO2C14H20 AB2C14D20 -67.69 1.89 0.0 0.0 0
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407255 135079671 1 ClNO5C6H14 ABC5D6E14 -272.95 2.44 -10.22 0.67 0
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407256 135079673 1 SeN2O2C14H18 AB2C2D14E18 -48.87 4.23 -8.34 -0.22 0