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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399960 135044217 1 O2C13H14 A2B13C14 -61.8 2.78 -9.34 0.19 0
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399961 135044220 1 BrON2H9C14 ABC2D9E14 41.68 4.71 -9.24 -1.14 0
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399962 135044229 4 OC3H5 AB3C5 -206.02 3.03 -10.71 0.46 1
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399963 135044234 1 OTiC14H21 ABC14D21 -12.55 6.32 0.0 0.0 0
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399964 135044241 1 OSiC13H20 ABC13D20 -76.37 1.1 -9.01 0.17 0
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399965 135044243 1 O2H13C15 A2B13C15 7.43 2.13 0.0 0.0 0
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399967 135044247 1 NOF2C14H19 ABC2D14E19 -150.86 2.19 -9.16 -0.31 1
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399969 135044258 1 ON2C14H18 AB2C14D18 -12.9 4.84 -8.12 0.12 0
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399970 135044260 1 SiO3C11H24 AB3C11D24 -246.04 2.64 -8.19 1.03 0
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399971 135044262 1 INOC11H12 ABCD11E12 -10.16 2.7 -8.72 -1.0 0
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399972 135044266 1 NO2C14H17 AB2C14D17 -63.47 2.71 -9.78 -0.59 0
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399973 135044267 1 NO3H11C15 AB3C11D15 -58.61 6.34 -9.19 -1.14 0
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399974 135044268 1 ClOC18H19 ABC18D19 -13.25 4.15 -9.42 -0.63 0
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399975 135044278 1 ON2H18C24 AB2C18D24 96.51 4.76 -8.98 -0.75 0
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399976 135044279 1 O2Si2C23H40 A2B2C23D40 -186.33 1.08 -8.72 0.28 0
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399977 135044287 1 SiO2C16H22 AB2C16D22 -90.62 4.7 -9.18 0.01 0
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399978 135044304 1 N2O3H8C11 A2B3C8D11 -38.31 2.3 -10.17 -1.15 0
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399979 135044317 1 BrNO2C13H16 ABC2D13E16 -61.64 7.48 -8.88 -0.2 0
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399980 135044319 1 O2N3H19C25 A2B3C19D25 111.75 4.07 -9.6 -0.92 0
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399981 135044324 1 NSH13C16 ABC13D16 77.85 2.91 -8.68 -0.19 0
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399982 135044338 1 O3C17H18 A3B17C18 -81.65 4.92 -9.07 -0.08 0
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399983 135044356 1 N2O3H10C13 A2B3C10D13 -9.26 1.89 -9.73 -1.31 0
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399984 135044357 1 BrNC12H14 ABC12D14 16.97 4.86 -8.68 -0.19 0
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399985 135044358 1 ON2Cl3H11C12 AB2C3D11E12 -21.87 2.37 -9.58 -1.51 0
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399986 135044360 1 N3O3C14H25 A3B3C14D25 -150.89 1.74 -9.52 0.62 0
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399987 135044363 1 NO3C7H7 AB3C7D7 -82.86 5.5 -9.58 -1.65 1
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399988 135044365 1 NSO5C11H16 ABC5D11E16 -202.46 5.05 0.0 0.0 0
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399989 135044368 1 FOC18H19 ABC18D19 -54.17 3.08 -9.45 -0.5 0
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399990 135044370 1 BrNOC12H20 ABCD12E20 -75.98 8.62 -8.64 0.19 0
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399991 135044375 1 NSO3C12H13 ABC3D12E13 -34.17 3.18 -9.12 -0.78 0
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399992 135044383 1 NC13H15 AB13C15 21.96 3.47 -8.12 0.34 0
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399993 135044396 1 NLi2O2H9C14 AB2C2D9E14 -38.87 6.53 -7.14 0.27 0
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399994 135044398 1 N2O3H10C14 A2B3C10D14 -47.06 2.5 -9.3 -1.07 0
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399995 135044402 1 NSO3C8H15 ABC3D8E15 -143.34 6.57 -10.13 -0.26 -1
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399996 135044404 1 NOPdH10C13 ABCD10E13 88.79 2.14 0.0 0.0 0
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399997 135044410 1 BrClNOC12H13 ABCDE12F13 -27.09 3.11 -8.86 -0.52 0
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399998 135044418 1 N2O3H12C14 A2B3C12D14 -32.89 6.89 -8.91 -0.9 1
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399999 135044420 1 OH13C15 AB13C15 41.06 2.59 0.0 0.0 1
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400001 135044424 1 BrO4C9H11 AB4C9D11 -114.91 3.91 -9.2 -1.21 0
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400002 135044426 1 NO2C11H14 AB2C11D14 -67.95 2.91 0.0 0.0 0
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400003 135044430 1 SN2O3C13H14 AB2C3D13E14 -91.63 4.22 -8.46 -0.21 0
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400004 135044438 1 N2O2C15H20 A2B2C15D20 -26.13 4.37 -10.59 -0.15 0
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400005 135044450 1 BrO2H11C12 AB2C11D12 -43.74 5.47 -9.82 -0.45 0
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400006 135044466 1 CPdSH6O6 ABCD6E6 -162.28 5.54 -8.66 -1.24 0
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400007 135044468 1 N2O3C14H22 A2B3C14D22 -137.95 1.99 -9.23 0.72 0
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400008 135044470 1 OC19H20 AB19C20 10.86 3.32 -9.28 -0.51 0
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400009 135044474 1 O3N4C11H14 A3B4C11D14 12.77 10.16 -9.92 -0.56 0
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400010 135044482 1 LiNO2H10C14 ABC2D10E14 -8.9 3.28 -7.62 -0.29 1
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400011 135044483 1 NOC16H18 ABC16D18 19.57 2.87 0.0 0.0 0
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400012 135044486 1 BrON2C14H17 ABC2D14E17 -15.21 7.11 -8.89 -0.64 0
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400013 135044507 1 NO2C11H15 AB2C11D15 -41.84 2.53 -9.39 -0.23 0
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400014 135044515 1 NO5C13H19 AB5C13D19 -209.24 5.37 -10.74 -0.9 0
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400015 135044521 1 SN3C11H15 AB3C11D15 39.38 2.97 -8.82 -0.42 0
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400016 135044524 1 NOPtC14H15 ABCD14E15 81.74 5.58 -8.96 -1.94 0
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400017 135044538 1 OSiC13H22 ABC13D22 -65.56 2.13 -8.56 0.25 0
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400018 135044539 1 OCl2N2H6C15 AB2C2D6E15 70.86 5.91 -10.1 -1.67 0
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400019 135044589 1 SiO2C10H18 AB2C10D18 -117.06 2.87 -10.12 0.52 0
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400020 135044591 1 BrN2S2C12H15 AB2C2D12E15 35.69 2.97 -8.69 -0.36 0
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400021 135044599 2 OC8H9 AB8C9 -63.57 3.32 -9.58 0.09 0
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400022 135044600 1 NO3C14H15 AB3C14D15 -94.21 4.37 -9.24 -0.49 0
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400023 135044601 1 BrClSN2C12H14 ABCD2E12F14 21.75 3.32 -8.83 -0.58 0
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400024 135044603 2 SC7H9 AB7C9 39.73 2.79 -8.06 0.25 0
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400025 135044604 2 NH5C6 AB5C6 95.95 1.49 -8.88 0.12 0
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400026 135044623 1 NO3C12H15 AB3C12D15 -29.43 5.37 -9.66 -0.5 0
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400027 135044631 1 OC15H20 AB15C20 -22.94 5.05 -9.01 -0.36 0
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400028 135044632 1 O2C15H22 A2B15C22 -79.66 3.98 -9.19 -0.09 0
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400029 135044641 1 NOC17H19 ABC17D19 -11.19 0.48 -8.52 -0.31 0
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400030 135044661 1 ClOC11H23 ABC11D23 -106.76 1.95 -9.69 0.89 0
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400031 135044678 1 SN3O3C12H21 AB3C3D12E21 -86.58 2.45 -9.11 -0.06 -1
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400032 135044679 1 SN2O2H13C14 AB2C2D13E14 -0.47 2.64 0.0 0.0 0
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400033 135044682 1 OSC10H10 ABC10D10 5.71 3.75 -9.13 -0.77 0
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400034 135044688 1 OSiC16H20 ABC16D20 -21.84 1.42 -8.7 0.07 0
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400035 135044696 1 SiO2C16H22 AB2C16D22 -92.17 5.34 -9.33 -0.13 1
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400036 135044699 1 O13C27H27 A13B27C27 -458.13 5.31 0.0 0.0 0
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400037 135044712 1 NOI2C9H9 ABC2D9E9 4.77 4.08 -8.96 -1.02 0
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400038 135044730 1 NSO2C9H11 ABC2D9E11 -31.07 5.19 -9.43 -1.05 0
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400040 135044749 1 N2O3C14H14 A2B3C14D14 -64.4 7.67 -8.83 -0.84 0
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400041 135044750 1 OC15H24 AB15C24 -61.51 1.68 -9.55 0.74 0
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400042 135044753 2 NOC6H7 ABC6D7 -81.1 3.26 -9.15 -0.38 0
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400043 135044763 1 FNO3H10C12 ABC3D10E12 -122.52 2.96 -9.35 -1.47 0
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400044 135044767 1 BrLiH8C11 ABC8D11 45.7 5.69 -8.01 0.23 0
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400045 135044775 2 OC4H6 AB4C6 -88.2 5.01 -10.14 0.64 0
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400046 135044814 1 NOSC12H17 ABCD12E17 6.94 5.2 -9.07 -0.23 0
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400047 135044828 1 SiN3C7H17 AB3C7D17 19.26 4.06 -9.38 0.37 0
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400048 135044837 1 N2C15H16 A2B15C16 38.6 0.79 -8.5 -0.42 -1
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400049 135044838 11 CH AB 44.92 1.47 0.0 0.0 0
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400050 135044842 1 NC8H11 AB8C11 22.6 3.97 -9.55 0.96 0
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400051 135044856 1 SO2C17H18 AB2C17D18 -47.11 1.2 -8.9 -0.15 0
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400052 135044860 1 OC19H28 AB19C28 -56.13 0.93 -9.07 0.42 0
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400053 135044863 1 SO3H14C15 AB3C14D15 -76.64 1.82 -9.26 -0.71 0
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400054 135044866 1 ClNO3H10C12 ABC3D10E12 -86.06 2.85 -9.32 -1.48 0
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400055 135044873 2 O2C7H8 A2B7C8 -137.58 0.94 -9.25 -0.31 0
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400056 135044877 1 N2C17H18 A2B17C18 56.8 4.24 -8.8 -0.03 0
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400057 135044891 1 OSN2H12C13 ABC2D12E13 68.51 6.16 -9.19 -0.85 1
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400058 135044896 1 OSC6H13 ABC6D13 -77.87 1.26 0.0 0.0 0
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400059 135044905 1 OC13H22 AB13C22 -87.05 3.95 -9.82 0.82 0
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400060 135044906 1 NSH3O3F4C8 ABC3D3E4F8 -251.84 2.25 -10.3 -2.07 0
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400061 135044922 1 BrNSO2H12C13 ABCD2E12F13 -42.34 4.69 -9.6 -1.56 0
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400062 135044945 1 OC13H16 AB13C16 -26.88 2.08 -9.49 0.28 0
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400063 135044950 1 SN2O2C12H18 AB2C2D12E18 -58.11 3.88 -9.15 -0.08 0