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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403878 135062358 1 N2O2C25H26 A2B2C25D26 -15.34 5.19 -8.18 0.15 0
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403879 135062359 1 BO3C15H21 AB3C15D21 -177.75 4.42 -8.52 0.39 0
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403880 135062360 1 BO3C17H23 AB3C17D23 -205.67 4.99 -9.26 0.25 1
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403881 135062361 1 BPO2C17H17 ABC2D17E17 82.38 4.7 0.0 0.0 0
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403882 135062362 4 OC6H11 AB6C11 -258.15 1.16 -9.6 0.86 0
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403883 135062363 1 NO2C21H25 AB2C21D25 -59.16 1.72 -9.09 -0.23 0
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403884 135062364 1 NOPSiC23H32 ABCDE23F32 -54.15 3.48 -9.0 -0.09 0
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403885 135062366 1 KH2O2N3C4 AB2C2D3E4 -52.05 8.49 -9.67 -1.12 0
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403886 135062368 2 NC8H9 AB8C9 73.31 2.5 -8.74 -0.09 0
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403888 135062371 1 NSO2C16H19 ABC2D16E19 -18.28 7.39 -9.11 -0.41 0
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403889 135062372 1 SN2O5H20C25 AB2C5D20E25 -31.64 10.41 -9.0 -1.53 0
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403890 135062373 1 NSO3C23H25 ABC3D23E25 -76.66 3.88 -8.63 -0.7 0
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403891 135062387 1 BSiO4C32H41 ABC4D32E41 -231.08 2.92 -8.61 0.36 0
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403892 135062389 1 SO2N3H25C28 AB2C3D25E28 56.14 6.33 -8.46 -0.4 0
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403893 135062439 1 N2O2C11H12 A2B2C11D12 -41.03 5.54 -8.75 -0.52 0
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403895 135062484 1 F2N2O9H22C30 A2B2C9D22E30 -368.03 9.17 -9.84 -1.13 0
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403896 135062488 2 SF2O2H9C12 AB2C2D9E12 -244.24 3.98 -9.68 -0.98 0
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403897 135062492 1 O2C27H36 A2B27C36 -28.93 1.96 -9.16 0.2 0
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403898 135062494 1 O2H30C33 A2B30C33 58.03 2.96 -8.69 -0.53 0
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403899 135062495 1 FN2O9C24H37 AB2C9D24E37 -464.17 7.38 -10.33 -0.61 0
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403900 135062496 1 OC18H24 AB18C24 -27.29 2.26 -8.47 1.26 0
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403901 135062497 1 OC18H28 AB18C28 -36.75 2.08 -8.51 1.23 0
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403902 135062499 1 S2N3O6H19C21 A2B3C6D19E21 -63.59 7.82 -8.99 -1.94 0
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403903 135062501 1 FNSO5C18H22 ABCD5E18F22 -226.72 8.97 -10.15 -0.52 0
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403904 135062502 1 NSiO4C23H37 ABC4D23E37 -172.51 2.18 -8.8 0.37 0
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403905 135062503 1 FO2C9H17 AB2C9D17 -138.91 1.05 -9.89 1.7 0
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403907 135062507 1 FN2O3C13H17 AB2C3D13E17 -147.0 7.54 -10.85 -0.46 0
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403908 135062508 3 OC4H6 AB4C6 -93.35 3.09 -9.88 -0.11 0
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403909 135062509 1 PO4C9H21 AB4C9D21 -259.99 2.42 -10.26 0.91 0
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403910 135062510 1 PO2C20H23 AB2C20D23 -50.77 3.36 -9.73 -0.12 0
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403911 135062511 1 PO2H21C22 AB2C21D22 -12.23 3.34 -9.45 -0.18 0
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403912 135062512 1 ClPF2O4C10H12 ABC2D4E10F12 -313.57 1.53 -9.76 -0.4 0
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403913 135062513 1 OSi2N7H25C35 AB2C7D25E35 59.21 5.29 -7.06 -1.88 0
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403914 135062515 1 IO2C17H19 AB2C17D19 -51.73 3.56 -9.43 -0.62 2
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403915 135062516 1 NPdP2C26H43 ABC2D26E43 -9.67 4.87 -6.3 1.09 2
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403916 135062517 1 PdN2P2C26H44 AB2C2D26E44 56.58 11.0 -4.83 1.08 0
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403917 135062518 1 S2O4C25H34 A2B4C25D34 -138.03 1.51 -8.66 0.25 0
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403918 135062519 1 S2O4C33H34 A2B4C33D34 -63.24 2.63 -8.47 -0.18 0
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403919 135062520 1 S2O4C35H38 A2B4C35D38 -81.86 5.0 -8.8 -0.38 0
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403920 135062521 1 S2O4C25H34 A2B4C25D34 -144.14 3.88 -8.78 -0.02 0
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403921 135062522 1 S2O4C33H34 A2B4C33D34 -63.19 3.73 -8.36 -0.07 0
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403922 135062536 1 NC27H43 AB27C43 -15.36 2.56 -8.17 0.34 0
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403923 135062541 1 FIN2O2H12C16 ABC2D2E12F16 -33.83 5.54 -9.07 -1.03 0
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403924 135062542 1 ClON4C19H21 ABC4D19E21 11.32 7.21 -9.13 -0.89 0
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403925 135062570 1 BO4C13H25 AB4C13D25 -292.89 3.95 -10.25 1.06 0
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403927 135062660 1 NSiO4C24H39 ABC4D24E39 -183.02 1.89 -8.85 0.41 0
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403928 135062662 2 O3C10H13 A3B10C13 -241.54 2.66 -8.92 -0.1 0
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403929 135062663 1 FO6C20H25 AB6C20D25 -289.56 2.06 -9.04 -0.32 0
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403930 135062665 2 OH11C13 AB11C13 66.69 4.73 -9.12 -0.22 0
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403931 135062669 1 O5C12H16 A5B12C16 -166.08 1.68 -10.12 -0.63 0
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403932 135062670 1 Si2O3C25H48 A2B3C25D48 -204.45 3.2 -8.33 -0.41 0
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403933 135062671 1 Si2O3C29H48 A2B3C29D48 -167.59 3.54 -8.38 -0.42 0
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403934 135062672 1 FO6C20H25 AB6C20D25 -293.0 2.91 -8.92 -0.04 0
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403935 135062673 1 O6C31H34 A6B31C34 -181.33 2.99 -8.78 0.03 0
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403936 135062674 1 SiO4C22H34 AB4C22D34 -187.34 2.65 -8.6 -0.12 0
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403937 135062675 1 SiO2C29H50 AB2C29D50 -135.53 3.87 -8.58 0.09 0
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403938 135062676 1 SiO2C29H52 AB2C29D52 -188.18 2.8 -8.59 0.37 0
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403939 135062785 1 C19H22 A19B22 72.96 0.64 -8.96 0.42 0
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403940 135062796 1 NO3Si3C20H39 AB3C3D20E39 -337.58 5.04 -9.16 0.24 0
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403941 135062914 2 NO9C21H27 AB9C21D27 -730.65 8.1 -8.76 -0.55 -1
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403942 135062915 1 BrReP2O3C41H49 ABC2D3E41F49 220.73 11.46 0.0 0.0 0
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403943 135062919 2 NC10H12 AB10C12 67.13 4.7 -8.19 0.06 0
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403944 135062928 1 OI2N2H10C14 AB2C2D10E14 83.47 5.55 -8.78 -1.58 0
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403945 135062929 2 NH7C8 AB7C8 89.96 1.34 -8.81 -0.18 0
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403946 135062951 1 ClO2H21C23 AB2C21D23 -9.22 3.4 -8.54 -0.3 0
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403947 135063038 1 OSi2C24H42 AB2C24D42 -129.68 1.63 -8.91 0.22 0
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403948 135063144 1 H20C21 A20B21 63.95 0.4 -8.42 -0.12 0
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403949 135063172 1 SO3H24C28 AB3C24D28 -6.23 5.57 -8.66 -0.75 0
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403950 135063179 1 FNOH16C21 ABCD16E21 -9.37 3.51 -8.94 -0.36 0
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403951 135063180 1 SiO6C16H22 AB6C16D22 -283.2 4.96 -9.12 -0.41 0
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403952 135063199 1 OSiC12H22 ABC12D22 -63.62 2.17 -8.52 1.23 0
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403953 135063310 1 FN2O8C20H31 AB2C8D20E31 -403.13 1.67 -9.59 -0.2 0
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403954 135063322 1 FO6C18H21 AB6C18D21 -270.38 2.02 -9.61 -0.13 0
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403955 135063327 1 O3C16H24 A3B16C24 -139.8 2.57 -8.81 -0.02 0
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403956 135063332 1 ClPO6C11H14 ABC6D11E14 -293.27 3.17 -9.51 -0.41 0