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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398918 135036272 1 ON2H18C20 AB2C18D20 30.15 5.29 -8.46 -0.09 0
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398919 135036273 1 NOC19H23 ABC19D23 -21.14 2.37 -8.33 0.14 0
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398920 135036287 2 NC7H11 AB7C11 6.07 1.36 -7.56 0.71 1
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398921 135036289 1 N2O2C6H9 A2B2C6D9 -7.45 1.68 0.0 0.0 0
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398922 135036311 2 OC14H15 AB14C15 -57.17 1.34 -7.93 0.27 0
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398924 135036355 1 NO2C10H17 AB2C10D17 -108.0 5.58 -9.25 1.26 0
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398925 135036382 1 SnO5C46H62 AB5C46D62 -136.14 3.47 -9.03 0.1 0
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398926 135036385 7 OC3H4 AB3C4 -321.98 3.31 -9.22 0.36 0
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398927 135036391 1 BrSN2O2H21C24 ABC2D2E21F24 28.7 3.92 -8.88 -0.66 0
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398928 135036395 1 SN2O2H18C22 AB2C2D18E22 48.18 5.26 -8.76 -0.7 0
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398929 135036398 1 SN2O2H16C17 AB2C2D16E17 11.19 4.89 -8.86 -0.53 0
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398930 135036402 1 NSO2C9H17 ABC2D9E17 -74.07 5.14 -9.4 0.41 0
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398931 135036403 1 NSO2C19H23 ABC2D19E23 -40.78 5.31 -9.21 -0.26 0
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398932 135036405 1 NO3C21H31 AB3C21D31 -118.35 5.15 -9.14 -0.66 0
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398933 135036417 1 ClSN3O4C24H24 ABC3D4E24F24 -69.9 7.76 -9.38 -1.45 0
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398934 135036422 1 ClSN3O3C22H24 ABC3D3E22F24 -48.5 7.81 -9.3 -1.34 0
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398935 135036430 1 N3O6C25H31 A3B6C25D31 -208.82 5.07 -9.02 -0.17 0
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398936 135036437 2 FOH11C14 ABC11D14 -98.35 2.26 -7.91 -0.38 0
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398938 135036448 1 O2C21H22 A2B21C22 -41.26 1.93 -9.07 0.14 0
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398939 135036449 1 N2O10C41H50 A2B10C41D50 -332.81 1.51 -8.79 -1.9 0
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398940 135036460 1 ClNO3H16C18 ABC3D16E18 -80.02 5.71 -8.9 -1.11 0
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398941 135036463 1 O5C22H26 A5B22C26 -131.68 3.52 -9.62 -0.63 0
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398942 135036481 1 BN2O5C26H31 AB2C5D26E31 -248.92 2.72 -8.2 0.17 0
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398943 135036493 1 ClNO3H20C24 ABC3D20E24 -65.78 3.8 -9.39 -0.58 0
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398944 135036494 1 NO4C22H25 AB4C22D25 -135.49 3.7 -9.02 -0.05 0
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398945 135036497 1 NO3C18H25 AB3C18D25 -129.23 0.69 -9.56 -0.18 0
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398946 135036500 1 NO8H25C27 AB8C25D27 -221.81 3.67 -8.74 -0.42 0
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398947 135036510 1 IO2Si2C26H51 AB2C2D26E51 -223.54 2.53 -8.72 -0.68 0
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398948 135036514 3 OH6C7 AB6C7 -47.73 4.5 -9.1 -1.54 0
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398949 135036527 1 ClON3H16C22 ABC3D16E22 91.32 3.45 -9.11 -0.83 0
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398950 135036535 1 ON4H16C22 AB4C16D22 109.63 4.71 -9.7 -1.03 0
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398951 135036536 1 BrON4H13C21 ABC4D13E21 122.13 2.65 -9.91 -1.14 0
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398952 135036542 1 N2O3C10H12 A2B3C10D12 -76.52 6.97 -8.27 -1.16 0
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398953 135036545 1 FC13H15 AB13C15 -34.34 1.43 -9.35 0.03 0
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398954 135036547 1 OC14H18 AB14C18 -32.92 2.46 -9.05 0.0 0
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398955 135036557 1 NO2C21H25 AB2C21D25 -70.18 2.21 -8.78 -0.34 0
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398957 135036593 1 ClO2C5H9 AB2C5D9 -108.89 4.3 -10.17 0.41 -1
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398958 135036606 1 OH7C9 AB7C9 18.99 0.68 0.0 0.0 0
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398959 135036616 1 C15H32 A15B32 -79.65 0.07 -10.42 4.06 0
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398961 135036624 1 OC18H18 AB18C18 -1.01 4.38 -9.1 -0.5 0
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398962 135036630 2 OC8H10 AB8C10 -55.65 1.84 -9.59 0.17 0
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398963 135036638 1 NO4C14H15 AB4C14D15 -132.04 6.15 -9.82 -0.74 0
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398964 135036639 1 SN2O3C7H10 AB2C3D7E10 -74.37 2.9 -9.74 -0.91 0
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398965 135036641 1 NO3C12H15 AB3C12D15 -127.06 1.91 -10.19 -0.13 -1
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398966 135036645 1 NO4C12H12 AB4C12D12 -120.8 7.89 0.0 0.0 0
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398967 135036648 1 NSiC14H31 ABC14D31 -53.99 1.2 -8.74 1.6 0
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398969 135036669 1 O2S2C7H7 A2B2C7D7 34.22 0.32 0.0 0.0 0
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398970 135036674 1 SnO2F3C11H19 AB2C3D11E19 -254.46 4.23 -9.65 -0.3 0
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398971 135036682 1 OC15H30 AB15C30 -88.87 1.59 -8.41 1.51 0
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398973 135036698 1 O3C14H24 A3B14C24 -165.0 3.76 -10.12 -0.44 0
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398974 135036705 1 NS2C10H17 AB2C10D17 9.41 4.11 -8.38 -0.03 0
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398975 135036706 1 NO2C11H13 AB2C11D13 -0.98 4.44 -9.72 -0.43 0
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398976 135036723 2 O2C5H6 A2B5C6 -131.65 2.33 -10.39 -0.71 0
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398977 135036727 1 BrN2O2C9H11 AB2C2D9E11 -64.4 0.61 -9.5 -1.22 0
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398978 135036728 1 N3O4C9H13 A3B4C9D13 -89.75 2.12 -10.2 -0.34 0
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398979 135036729 1 NOC9H15 ABC9D15 -36.62 1.88 -8.77 1.08 0
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398980 135036732 1 NOC16H33 ABC16D33 -86.85 2.48 -9.39 2.26 0
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398981 135036733 1 O7C20H20 A7B20C20 -244.89 5.62 -9.16 -0.8 1
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398982 135036740 1 ClPSi2O3C10H25 ABC2D3E10F25 -264.18 4.98 0.0 0.0 0
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398983 135036743 1 LiOC8H13 ABC8D13 -0.28 7.63 -6.42 2.7 0
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398984 135036752 1 NO4C6H9 AB4C6D9 -161.47 3.98 -9.77 0.24 0
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398985 135036758 1 O5H8C12 A5B8C12 -135.63 10.67 -9.5 -1.7 0
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398986 135036784 2 O3C5H8 A3B5C8 -294.68 2.26 -10.87 0.52 0
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398987 135036785 2 NO2C6H8 AB2C6D8 -127.83 2.4 -10.17 -1.2 1
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398988 135036786 1 N2O4C12H17 A2B4C12D17 -130.44 6.24 0.0 0.0 0
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398989 135036792 1 O6C7H12 A6B7C12 -231.96 2.5 -10.35 -0.55 0
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398990 135036801 1 NO4C12H13 AB4C12D13 -108.28 4.38 -10.2 -2.0 0
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398991 135036805 2 OC4H5 AB4C5 -53.49 5.46 -10.64 0.76 0
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398992 135036806 1 O5C12H20 A5B12C20 -252.46 4.29 -10.04 0.55 0
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398993 135036812 1 PO5C13H23 AB5C13D23 -266.86 5.45 -10.4 0.46 0
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398994 135036813 1 KNSH4C5 ABCD4E5 1.27 10.33 -7.04 -0.24 0
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398996 135036829 1 NO4C15H19 AB4C15D19 -142.73 4.78 -9.54 -0.13 0
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398997 135036830 1 SC14H20 AB14C20 -15.09 1.75 -8.68 0.2 0
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398998 135036838 3 OH4C5 AB4C5 -61.61 4.79 -9.48 -0.82 0
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398999 135036851 1 SiO2C14H28 AB2C14D28 -155.17 2.56 -9.34 0.46 0
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399000 135036854 3 OC5H6 AB5C6 -65.26 5.66 -9.62 0.08 0
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399001 135036884 1 O5C13H22 A5B13C22 -233.47 2.44 -10.07 0.53 0
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399002 135036899 1 N3O5C10H13 A3B5C10D13 -141.17 1.59 -9.79 -0.12 0
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399003 135036923 1 NO2C16H21 AB2C16D21 -73.0 2.06 -8.41 0.09 0
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399004 135036962 1 SC15H22 AB15C22 -0.55 0.95 -8.1 0.55 0
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399005 135036974 1 NO4C12H23 AB4C12D23 -192.94 5.09 -9.71 0.33 0
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399006 135036986 1 O3C8H14 A3B8C14 -129.83 3.24 -9.98 0.96 0
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399007 135036992 1 N3C9H13 A3B9C13 76.67 4.19 -9.07 0.75 0
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399008 135036994 1 BrOC12H13 ABC12D13 2.83 3.09 -9.31 -0.44 0
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399009 135037009 1 RuO3C11H15 AB3C11D15 28.29 6.89 0.0 0.0 0
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399010 135037015 1 BrO4C12H19 AB4C12D19 -197.0 4.29 -10.26 -0.16 0
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399011 135037016 1 NPO3C5H8 ABC3D5E8 -141.56 3.3 -9.56 -0.42 0
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399012 135037021 1 O5C15H18 A5B15C18 -184.24 4.41 -9.8 -0.23 0
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399013 135037022 1 SO3C15H20 AB3C15D20 -100.31 4.17 -8.6 -0.31 1
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399014 135037027 1 NOC14H28 ABC14D28 -75.2 1.34 0.0 0.0 0
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399015 135037055 2 NO2C5H7 AB2C5D7 -183.11 4.61 -10.49 -0.48 0
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399017 135037059 1 SeC2O2H8 AB2C2D8 -79.87 1.45 -8.85 0.18 0
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399018 135037060 1 SeC2O2H7 AB2C2D7 7.64 1.55 0.0 0.0 -1
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399019 135037081 1 O7C12H17 A7B12C17 -278.32 4.04 0.0 0.0 0
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399020 135037082 1 O7C12H18 A7B12C18 -327.1 3.0 -10.72 0.27 0
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399021 135037085 1 ClOH15C17 ABC15D17 -5.76 1.93 -8.62 -0.31 0
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399022 135037087 1 SiO2C12H20 AB2C12D20 -61.89 2.58 -9.93 0.24 0
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399023 135037094 1 OC12H22 AB12C22 -69.01 3.43 -9.57 0.82 0
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399024 135037108 2 OC9H13 AB9C13 -82.42 2.27 -9.63 0.16 0
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399025 135037129 1 NO3C13H23 AB3C13D23 -159.39 3.98 -8.65 0.82 0