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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127881 51020963 1 O6C13H16 A6B13C16 -245.84 2.49 -9.32 -0.19 0
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127882 51021126 1 O3C20H24 A3B20C24 -67.46 5.78 -8.86 -0.31 0
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127883 51021283 1 O4C13H16 A4B13C16 -58.37 2.38 -9.94 0.68 0
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127884 51021382 1 NSO6C13H17 ABC6D13E17 -228.04 6.82 -9.64 -0.92 0
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127885 51021383 1 NaSSiN2O2C18H27 ABCD2E2F18G27 -123.52 5.44 -7.39 0.28 0
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127886 51021384 1 NaSSiN2O2C18H27 ABCD2E2F18G27 -127.8 2.3 -7.33 0.18 0
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127887 51021385 1 NOC8H13 ABC8D13 -9.7 2.25 -9.07 1.82 0
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127888 51021386 1 NO9C31H43 AB9C31D43 -336.85 7.32 -8.74 -0.57 0
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127889 51021427 2 OC5H8 AB5C8 -75.65 3.66 -9.74 0.93 0
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127890 51021472 1 O4C25H36 A4B25C36 -186.95 8.33 -9.24 -0.62 0
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127891 51021538 1 O15C53H84 A15B53C84 -654.29 5.62 -9.36 -0.37 0
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127892 51021568 1 NSiO2C21H33 ABC2D21E33 -131.66 4.72 -8.59 0.14 0
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127893 51021569 1 NSiO2C21H33 ABC2D21E33 -129.7 1.28 -8.91 0.2 0
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127894 51021570 1 ClN2O4C22H29 AB2C4D22E29 -183.45 7.01 -8.77 -0.16 0
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127895 51021668 1 IO3C12H17 AB3C12D17 -129.03 4.37 -9.57 -0.88 0
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127896 51021692 1 SN2O4C16H16 AB2C4D16E16 -131.27 1.44 -9.18 -0.75 0
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127897 51021719 1 SiO2C20H34 AB2C20D34 -144.34 4.84 -8.65 0.38 0
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127898 51021723 2 O6C19H22 A6B19C22 -382.42 8.06 -10.06 -1.98 0
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127899 51021788 1 ClSO5H15C16 ABC5D15E16 -177.72 6.79 -10.04 -1.38 0
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127900 51022108 2 N2O3H8C11 A2B3C8D11 -150.22 10.03 -8.81 -1.52 0
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127901 51022149 1 NO2C16H25 AB2C16D25 -106.53 3.0 -9.64 0.2 0
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127903 51022284 2 OC7H10 AB7C10 -73.96 3.09 -9.82 0.25 0
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127904 51022490 4 OC5H5 AB5C5 -129.66 2.84 -8.48 -0.14 0
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127905 51022589 1 NO3C9H15 AB3C9D15 -145.07 3.65 -9.7 0.43 0
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127906 51022616 1 Si3O5C50H82 A3B5C50D82 -366.27 5.93 -8.84 0.27 0
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127907 51022617 2 OH6C8 AB6C8 9.29 2.82 -9.21 -0.64 0
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127908 51022654 1 O2C15H22 A2B15C22 -82.01 5.49 -9.96 -0.2 0
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127909 51022759 1 BBrNO4C30H43 ABCD4E30F43 -252.8 7.95 -9.52 -0.1 0
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127910 51022760 1 NO5C17H21 AB5C17D21 -189.28 6.0 -8.45 -0.09 0
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127911 51022761 1 NO5C17H21 AB5C17D21 -188.94 4.49 -8.29 0.08 0
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127912 51022790 1 NSiO3C25H35 ABC3D25E35 -149.32 3.76 -9.0 -0.02 0
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127913 51022811 1 NO3C15H15 AB3C15D15 -3.5 4.78 -10.2 -1.03 0
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127914 51022832 1 O9C34H36 A9B34C36 -272.43 3.49 -9.42 -0.12 0
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127915 51022939 1 N2O35C51H82 A2B35C51D82 -1541.03 11.92 -9.56 -0.48 0
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127916 51022940 1 NO4C17H17 AB4C17D17 -119.02 2.24 -9.06 -0.35 0
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127917 51022979 1 NO3H15C19 AB3C15D19 -2.59 1.97 -9.32 -0.83 0
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127918 51022980 1 NO3Cl6H11C15 AB3C6D11E15 -41.88 5.88 -9.98 -1.28 0
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127919 51022981 1 SSiO9C33H48 ABC9D33E48 -451.38 2.59 -8.89 -0.23 0
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127920 51022998 1 O16C43H68 A16B43C68 -767.31 1.37 -9.27 0.16 0
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127921 51023009 1 NO2C19H27 AB2C19D27 -91.44 3.35 -8.69 0.12 0
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127922 51023150 1 SO2C15H20 AB2C15D20 -31.24 2.33 -8.96 -0.35 0
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127923 51023175 7 SO9C12H20 AB9C12D20 -2825.19 12.04 -8.83 -0.28 0
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127924 51023176 1 ClNO4C8H12 ABC4D8E12 -197.41 9.47 -11.35 -0.33 0
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127925 51023177 1 NO4C8H11 AB4C8D11 -165.74 6.57 -10.74 -0.28 0
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127926 51023212 1 N2O4H14C15 A2B4C14D15 54.61 7.69 -10.5 -1.52 0
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127927 51023213 1 N2O5H28C30 A2B5C28D30 -78.14 5.88 -9.38 -0.33 0
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127928 51023214 1 O2C13H18 A2B13C18 -73.51 1.21 -10.01 0.12 0
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127929 51023215 1 BrNSiO4C24H28 ABCD4E24F28 -126.08 3.02 -9.41 -0.08 0
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127930 51023224 2 OC7H7 AB7C7 -33.69 1.8 -9.56 -0.54 0
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127931 51023356 2 O4H9C14 A4B9C14 -234.38 2.61 -9.28 -1.39 0
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127932 51023511 1 NSiO5C37H55 ABC5D37E55 -259.91 6.84 -9.09 0.18 0
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127933 51023512 1 NO5C15H19 AB5C15D19 -194.22 4.01 -9.49 -0.58 0
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127934 51023543 1 F3O3C22H29 A3B3C22D29 -277.93 2.5 -9.9 -0.23 0
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127935 51024067 1 OSC23H36 ABC23D36 -14.9 2.21 -8.46 0.84 0
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127937 51024069 1 O8H26C27 A8B26C27 -286.19 4.51 -9.51 -0.86 0
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127938 51024070 1 O9C32H42 A9B32C42 -365.73 3.17 -9.21 0.47 0
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127939 51024071 1 O5C15H22 A5B15C22 -208.93 3.57 -9.99 1.6 0
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127940 51024072 1 N2O5C18H20 A2B5C18D20 -149.88 4.55 -9.64 -0.38 0
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127941 51024073 1 O16C29H42 A16B29C42 -735.17 6.89 -9.46 0.33 0
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127942 51024074 1 O2C11H18 A2B11C18 -80.29 3.76 -9.23 1.45 0
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127943 51024075 1 SiO2H36C44 AB2C36D44 120.09 0.94 -8.55 -0.13 0
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127944 51024076 1 SF3O5C28H43 AB3C5D28E43 -433.06 2.87 -9.82 -1.22 0
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127945 51024113 1 SN2O4C18H26 AB2C4D18E26 -158.27 4.29 -8.86 0.06 0
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127946 51024142 1 NF2O2C21H23 AB2C2D21E23 -140.95 2.44 -9.01 -0.16 0
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127947 51024249 2 SO3C20H25 AB3C20D25 -44.79 8.51 -5.8 -0.5 0
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127948 51024315 1 SN2O6C20H28 AB2C6D20E28 -231.56 6.86 -8.92 -0.46 0
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127949 51024368 7 N3O4C6H9 A3B4C6D9 -701.8 7.5 -9.93 -0.54 0
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127950 51024458 1 BrOCl5H10C14 ABC5D10E14 -24.2 2.64 -9.64 -0.62 0
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127951 51024508 4 OC3H4 AB3C4 -68.1 2.26 -9.9 0.29 0
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127952 51024525 1 O5C12H18 A5B12C18 -231.3 4.04 -10.09 0.38 0
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127953 51024527 1 OC26H30 AB26C30 1.34 0.89 -8.75 0.07 2
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127954 51024653 2 NC9H14 AB9C14 32.37 2.54 -8.71 0.36 -1
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127955 51024709 1 FNSO5C24H25 ABCD5E24F25 -201.02 5.95 0.0 0.0 0
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127956 51024857 3 OC7H10 AB7C10 -151.72 6.33 -9.68 0.06 0
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127957 51024858 1 ClNSF3O5C41H41 ABCD3E5F41G41 -280.1 6.03 -8.96 -1.6 0
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127958 51024859 1 N2C23H30 A2B23C30 35.58 1.48 -8.57 0.21 0
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127959 51024860 1 ON2C25H30 AB2C25D30 -18.54 5.25 -8.37 -0.05 0
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127960 51024915 1 NO5C13H17 AB5C13D17 -217.57 1.84 -10.51 -0.28 0
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127961 51025007 1 N2O3C17H26 A2B3C17D26 -149.54 4.07 -9.12 0.82 0
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127962 51025030 1 NOC18H25 ABC18D25 -49.05 3.91 -8.64 0.24 0
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127963 51025031 1 NO2C11H17 AB2C11D17 -99.61 5.96 -10.03 0.95 0
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127964 51025032 1 NO5C35H43 AB5C35D43 -183.42 2.94 -8.97 -0.65 0
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127965 51025047 1 OS2N4C16H22 AB2C4D16E22 122.8 12.71 -8.59 -0.61 0
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127966 51025077 1 O3C10H16 A3B10C16 -96.64 1.7 -9.7 0.94 0
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127967 51025117 1 NOC19H27 ABC19D27 -55.73 3.03 -8.54 0.28 0
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127968 51025118 1 ClSN2O3H17C19 ABC2D3E17F19 -81.86 6.62 -8.73 -0.88 0
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127969 51025127 1 OBr2C24H34 AB2C24D34 -33.96 2.41 -9.52 -0.62 0
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127970 51025128 1 SN2O3C20H30 AB2C3D20E30 -135.07 4.14 -8.94 -0.44 0
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127971 51025186 2 NNaO21C31H44 ABC21D31E44 -1947.78 39.65 -7.92 -0.98 0
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127972 51025283 2 NO2C9H10 AB2C9D10 -148.11 4.66 -8.98 -0.47 0
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127973 51025329 1 SN2O3C17H24 AB2C3D17E24 -120.54 8.51 -8.99 -0.44 0
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127974 51025331 2 OC5H8 AB5C8 -91.43 2.92 -10.0 0.57 0
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127975 51025486 2 NO5C19H23 AB5C19D23 -332.46 7.04 -8.24 -0.45 0
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127976 51025497 1 ClNO3C18H18 ABC3D18E18 -81.99 5.49 -8.98 -0.37 1
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127977 51025507 1 ON3C20H30 AB3C20D30 -3.5 3.23 0.0 0.0 0
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127978 51025508 1 NO5C25H25 AB5C25D25 -158.32 2.81 -8.74 -0.29 0
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127979 51025509 1 ClON2C14H17 ABC2D14E17 -36.67 5.56 -8.78 -0.12 0
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127980 51025510 1 N4C9H12 A4B9C12 41.67 2.21 -8.66 0.25 0
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127981 51025529 1 SO4C19H24 AB4C19D24 -145.81 2.97 -9.31 -0.68 0
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127982 51025530 1 NO3H23C24 AB3C23D24 -54.41 2.77 -9.42 -0.8 0