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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162918 57580825 1 O3N5H29C30 A3B5C29D30 -24.6 8.75 -8.36 -1.05 0
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162919 57580831 1 O3N7C28H31 A3B7C28D31 -37.99 4.22 -8.55 -1.26 0
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162920 57580837 1 O2N6C25H28 A2B6C25D28 4.83 2.57 -8.45 -1.16 0
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162921 57580841 1 ON4C29H32 AB4C29D32 38.64 7.83 -7.88 -0.82 0
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162922 57580845 1 OF2N6C24H24 AB2C6D24E24 -41.74 3.4 -8.07 -0.94 0
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162923 57580847 1 ON5C28H31 AB5C28D31 59.62 4.88 -8.0 -0.75 0
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162924 57580848 1 O2N5H19C22 A2B5C19D22 36.18 4.02 -8.55 -1.25 0
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162925 57580857 1 N5C23H25 A5B23C25 104.33 3.71 -7.99 -0.41 0
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162926 57580863 2 ON2H12C14 AB2C12D14 38.26 5.75 -8.6 -1.29 0
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162927 57580864 1 ON5C23H23 AB5C23D23 72.69 2.92 -8.38 -1.12 0
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162929 57580879 1 O2N4H24C25 A2B4C24D25 25.77 3.51 -7.96 -0.8 0
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162930 57580892 2 ON2C14H14 AB2C14D14 13.98 2.87 -8.94 -1.04 0
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162931 57580917 1 N2C33H40 A2B33C40 35.2 4.13 -8.62 -0.5 0
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162932 57580918 1 N5C32H39 A5B32C39 74.59 3.57 -7.68 -0.38 1
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162934 57580924 1 NO4C27H29 AB4C27D29 -74.91 0.82 -8.49 0.09 0
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162937 57580948 1 NSO6C27H27 ABC6D27E27 -149.31 4.48 -8.49 -0.62 0
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162938 57580949 1 NS2O8H25C26 AB2C8D25E26 -229.68 3.32 -8.53 -1.42 0
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162939 57580950 1 NO5C22H23 AB5C22D23 -137.52 2.88 -8.64 -0.27 0
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162940 57580951 1 N2O4C21H24 A2B4C21D24 -98.41 4.8 -8.53 0.01 1
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162941 57580956 1 SN2O6H19C26 AB2C6D19E26 -85.85 1.4 0.0 0.0 -1
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162944 57580973 1 NO6H25C27 AB6C25D27 -150.21 2.86 -8.52 -0.51 0
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162945 57580975 1 SO6H26C27 AB6C26D27 -172.32 3.02 -8.42 -0.53 0
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162946 57580979 1 NSF2O6H21C25 ABC2D6E21F25 -243.06 5.21 -8.27 -1.51 0
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162948 57580981 1 SN3O6C30H37 AB3C6D30E37 -200.87 5.09 -8.54 -0.16 0
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162949 57580983 1 NO4C21H27 AB4C21D27 -105.94 0.87 -8.06 0.28 1
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162950 57580984 1 NO5H22C23 AB5C22D23 -123.26 3.65 0.0 0.0 0
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162951 57580993 1 FNSO6H22C25 ABCD6E22F25 -196.33 5.46 -8.4 -1.04 0
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162952 57580997 1 NSO7H25C26 ABC7D25E26 -191.93 6.81 -8.41 -0.84 0
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162953 57581002 1 NO5C21H23 AB5C21D23 -142.82 2.05 -8.66 -0.12 -1
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162954 57581009 1 SN2O8H23C25 AB2C8D23E25 -128.69 4.24 0.0 0.0 0
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162956 57581016 1 NO4C19H21 AB4C19D21 -103.8 2.12 -8.37 -0.23 -1
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162957 57581032 1 NORhC14H18 ABCD14E18 26.04 16.04 -10.52 -3.55 0
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162958 57581034 1 NPC4H9 ABC4D9 17.05 2.6 0.0 0.0 0
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162959 57581035 1 OPN2C14H19 ABC2D14E19 2.71 3.46 -8.61 -0.12 0
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162960 57581036 1 NO3C14H17 AB3C14D17 -66.9 4.23 -8.77 -0.4 0
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162961 57581038 1 NO5C14H17 AB5C14D17 -134.06 2.52 -8.47 -0.65 0
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162963 57581056 1 NOC15H19 ABC15D19 -14.15 4.7 -8.98 -0.25 0
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162964 57581059 1 N2O4F7C29H31 A2B4C7D29E31 -508.87 3.24 -9.44 -1.22 0
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162965 57581060 2 OC4H6 AB4C6 -79.99 4.74 -9.73 -0.41 0
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162967 57581066 1 NO4F6C26H27 AB4C6D26E27 -465.79 2.3 -9.59 -1.23 0
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162968 57581078 1 N4O4F6H26C27 A4B4C6D26E27 -401.71 5.19 -9.44 -1.3 0
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162969 57581079 1 NO5F7C28H28 AB5C7D28E28 -556.39 3.5 -9.68 -1.25 0
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162970 57581082 1 N2O3F6C30H32 A2B3C6D30E32 -400.89 5.28 -8.89 -1.27 0
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162971 57581090 1 N2O3F7H29C30 A2B3C7D29E30 -434.37 4.65 -8.37 -1.22 0
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162972 57581093 1 O2N3F7H26C28 A2B3C7D26E28 -385.23 4.72 -8.94 -1.21 0
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162974 57581115 1 ON7C23H25 AB7C23D25 94.02 5.65 -8.51 -1.06 0
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162975 57581116 1 ON8H26C28 AB8C26D28 167.17 3.29 -8.56 -2.04 0
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162976 57581158 1 ClN3H6C9 AB3C6D9 96.87 3.72 -9.21 -0.84 0
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162977 57581160 1 ClN3H8C10 AB3C8D10 86.59 3.83 -9.19 -0.86 0
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162978 57581163 1 KP13H14 AB13C14 -161.08 9.26 -6.86 0.24 0
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162979 57581169 1 O2N5H9C10 A2B5C9D10 36.87 3.92 -9.66 -1.19 0
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162980 57581194 1 ClO2N4C23H25 AB2C4D23E25 8.27 4.8 -8.52 -0.72 0
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162981 57581207 1 FN2C6H13 AB2C6D13 -47.33 0.87 -8.97 2.04 0
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162982 57581211 1 Cl2O2N4C23H24 A2B2C4D23E24 6.81 5.6 -8.69 -0.97 0
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162983 57581213 1 ON2C7H16 AB2C7D16 -36.81 2.0 -8.06 2.28 0
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162984 57581219 1 SO2N3C11H17 AB2C3D11E17 -35.7 4.56 -8.21 -0.57 0
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162986 57581235 1 NSO3H27C29 ABC3D27E29 -36.55 3.42 -8.68 -0.77 0
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162987 57581238 1 SN2O3H26C28 AB2C3D26E28 -34.17 5.75 -8.69 -0.66 0
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162988 57581241 1 SN2O3H24C28 AB2C3D24E28 -21.99 2.48 -8.88 -0.72 0
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162989 57581242 1 N2O2H26C29 A2B2C26D29 -0.15 1.1 -9.07 -0.63 0
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162990 57581245 2 O2C7H8 A2B7C8 -175.06 9.92 -9.49 -0.92 0
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162991 57581248 1 N2O5H28C32 A2B5C28D32 -119.62 6.12 -9.16 -0.76 0
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162992 57581249 1 N2O7H30C31 A2B7C30D31 -190.21 5.18 -8.58 -0.87 0
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162993 57581250 1 N3O3H25C31 A3B3C25D31 1.75 1.93 -9.16 -0.77 0
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162995 57581276 1 N3O3H23C28 A3B3C23D28 -12.78 4.23 -9.18 -0.86 0
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162996 57581300 1 ON2C16H20 AB2C16D20 -12.7 2.34 -8.84 -0.18 0
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162997 57581304 1 N2O5H28C29 A2B5C28D29 -103.61 13.02 -8.07 -1.3 -1
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162998 57581316 1 O3C16H21 A3B16C21 -87.08 3.52 0.0 0.0 0
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162999 57581324 1 N3O6C34H37 A3B6C34D37 -172.92 2.95 -8.62 -0.57 0
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163000 57581328 1 N2O4C33H40 A2B4C33D40 -109.0 5.91 -8.69 -0.69 0
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163001 57581331 1 SiO2N3C22H27 AB2C3D22E27 -41.07 2.79 -9.04 -0.14 0
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163002 57581332 1 NO4H15C17 AB4C15D17 -36.75 4.94 -9.94 -1.56 0
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163004 57581337 1 N2O4C31H32 A2B4C31D32 -74.16 4.74 -8.41 -0.34 -1
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163005 57581342 1 O5C14H19 A5B14C19 -153.42 3.72 0.0 0.0 0
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163006 57581343 1 O5C14H20 A5B14C20 -206.95 4.47 -9.04 -0.1 0
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163007 57581354 1 N2O6C31H32 A2B6C31D32 -151.07 1.61 -8.52 -0.62 0
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163008 57581358 1 SiN2O2C23H26 AB2C2D23E26 -55.19 2.47 -9.21 -0.57 0
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163009 57581359 2 NO3H15C16 AB3C15D16 -152.41 6.2 -8.59 -1.09 0
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163010 57581362 1 NSO5C33H33 ABC5D33E33 -143.0 3.97 -8.48 -0.67 0
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163011 57581367 1 SN2O4H26C29 AB2C4D26E29 -58.81 2.31 -8.82 -0.67 0
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163012 57581368 1 N3O4H29C32 A3B4C29D32 -38.53 4.33 -8.57 -0.97 0
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163013 57581369 1 NF3O3H18C21 AB3C3D18E21 -231.29 1.76 -8.93 -1.09 0
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163014 57581370 1 N3O3H23C30 A3B3C23D30 8.67 3.69 -9.18 -0.98 0
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163015 57581373 2 NO3H15C16 AB3C15D16 -151.48 3.92 -8.56 -1.0 0
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163016 57581378 1 N3O4H27C28 A3B4C27D28 -61.74 5.56 -8.83 -0.92 0
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163017 57581380 1 NSO2H19C20 ABC2D19E20 -28.96 0.75 -8.6 -0.3 0
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163018 57581381 1 N2O3H24C29 A2B3C24D29 -23.28 2.76 -9.08 -0.64 0
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163019 57581387 1 N3O4C33H35 A3B4C33D35 -69.12 5.62 -8.24 -0.47 0
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163020 57581389 1 SN2O2H28C30 AB2C2D28E30 -4.02 5.69 -8.63 -0.72 0
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163021 57581401 1 NF3O3H14C19 AB3C3D14E19 -222.64 5.82 -9.16 -1.08 0
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163023 57581404 1 ON2C13H14 AB2C13D14 3.22 2.01 -8.84 -0.25 0
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163024 57581405 1 NSO3H27C29 ABC3D27E29 -39.23 2.2 -8.71 -0.69 0
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163025 57581406 1 NO5H13C15 AB5C13D15 -67.56 3.94 -9.46 -1.54 0
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163027 57581409 1 NO6C29H31 AB6C29D31 -198.52 7.28 -8.64 -0.6 0
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163028 57581412 1 ON2H16C18 AB2C16D18 37.7 3.03 -8.87 -0.23 0
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163029 57581414 1 N3O7C36H41 A3B7C36D41 -224.52 9.16 -8.69 -0.76 0
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163030 57581417 1 N2O4H28C31 A2B4C28D31 -71.37 11.98 -7.34 -1.14 0
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163031 57581418 1 N2O2H12C17 A2B2C12D17 12.42 4.81 -9.76 -1.43 0
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163032 57581428 2 NO3C18H19 AB3C18D19 -177.07 4.45 -8.81 -1.05 0
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163033 57581432 1 N2O5H26C30 A2B5C26D30 -91.18 13.24 -7.29 -1.13 0