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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382629 134973901 7 OC4H4 AB4C4 -199.62 5.31 -8.82 -0.92 0
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382630 134973902 7 OC4H4 AB4C4 -199.23 3.14 -8.63 -0.39 0
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382631 134973903 1 O7C16H20 A7B16C20 -272.31 6.36 -10.13 -0.47 0
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382632 134973904 1 SiO6C33H38 AB6C33D38 -214.99 5.26 -8.92 -0.45 0
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382633 134973905 1 SiO8C35H46 AB8C35D46 -317.87 7.68 -8.66 -0.48 0
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382634 134973906 1 SO13C45H60 AB13C45D60 -367.52 1.31 -8.74 -0.94 0
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382636 134973908 1 Si2O13C51H86 A2B13C51D86 -609.84 0.96 -8.81 -0.82 0
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382637 134973909 1 S2O5C23H32 A2B5C23D32 -192.86 4.28 -8.77 -0.33 0
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382638 134973910 1 O5C21H36 A5B21C36 -255.94 3.31 -9.16 0.99 0
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382639 134973913 1 N2O5C15H20 A2B5C15D20 -137.46 3.02 -9.93 -1.1 0
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382640 134973915 2 OC15H24 AB15C24 -157.72 2.86 -9.25 0.88 -2
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382641 134973916 1 YN4O4H26C31 AB4C4D26E31 78.05 9.48 0.0 0.0 0
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382642 134973918 1 O7H36C43 A7B36C43 -95.8 2.88 -9.04 -1.89 0
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382643 134973919 1 O7H14C16 A7B14C16 -223.73 3.93 -9.05 -1.85 0
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382644 134973920 1 O7H50C57 A7B50C57 -70.67 3.57 -8.38 0.02 0
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382645 134973921 1 O8H12C15 A8B12C15 -248.16 5.24 -9.02 -2.03 0
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382646 134973922 1 N2S2O3C14H14 A2B2C3D14E14 -68.73 1.85 -8.15 -0.64 0
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382647 134973923 1 SN2O3H20C26 AB2C3D20E26 -34.46 3.27 -8.17 -1.11 0
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382648 134973924 1 SnC26H50 AB26C50 -59.99 1.42 -8.75 0.7 0
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382649 134973925 1 IO2C7H9 AB2C7D9 -51.73 6.02 -9.77 -1.14 0
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382650 134973928 3 O3C8H8 A3B8C8 -260.46 8.73 -8.36 -1.8 0
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382651 134973929 1 O6C19H26 A6B19C26 -260.51 2.0 -9.83 -0.68 0
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382652 134973930 1 O5C19H26 A5B19C26 -222.75 1.24 -9.93 -0.78 0
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382653 134973931 2 O2C9H12 A2B9C12 -173.91 1.79 -9.82 -0.76 0
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382654 134973932 2 O3C9H11 A3B9C11 -247.87 2.14 -10.15 -0.95 0
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382655 134973933 1 O5C18H22 A5B18C22 -181.37 4.58 -9.82 -0.92 0
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382656 134973934 1 O5C18H22 A5B18C22 -197.02 2.73 -10.02 -0.99 0
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382657 134973936 1 NO6C29H31 AB6C29D31 -160.64 4.23 -8.41 -0.84 0
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382658 134973938 1 Si2O5C41H56 A2B5C41D56 -205.69 4.59 -8.87 0.14 0
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382659 134973939 1 O4C25H32 A4B25C32 -113.33 4.79 -8.35 -1.01 0
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382660 134973940 1 NOC20H27 ABC20D27 6.38 2.98 -8.56 0.18 0
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382661 134973943 1 NO6H19C21 AB6C19D21 -192.92 3.44 -9.09 -0.64 0
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382662 134973945 1 SF3N3O4C24H34 AB3C3D4E24F34 -337.73 7.13 -8.58 -0.93 0
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382663 134973949 1 O3C20H24 A3B20C24 -81.57 3.47 -9.24 0.39 0
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382664 134973950 1 O8C47H52 A8B47C52 -239.3 7.19 -8.79 -0.03 0
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382665 134973953 1 N6O8C47H50 A6B8C47D50 -86.94 7.53 -8.86 -0.3 0
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382666 134973954 1 BrSO3C19H19 ABC3D19E19 -86.65 3.1 -8.64 -1.02 0
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382667 134973958 1 NOH17C19 ABC17D19 5.67 5.18 -8.91 -0.24 0
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382668 134973959 1 BrNH16C19 ABC16D19 64.3 0.11 -9.4 -0.32 0
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382669 134973960 1 BrNH16C19 ABC16D19 55.38 3.84 -9.4 -0.43 0
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382670 134973961 1 SH22C24 AB22C24 56.38 1.08 -8.48 -0.62 0
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382671 134973964 1 ClSH9C13 ABC9D13 46.46 2.09 -8.65 -0.94 0
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382672 134973965 1 OSH18C26 ABC18D26 83.38 1.78 -8.36 -0.77 0
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382676 134973981 1 NOC30H39 ABC30D39 -17.47 5.06 -8.5 0.09 0
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382678 134973985 2 OC9H11 AB9C11 -43.61 4.14 -9.1 -0.46 0
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382680 134973990 2 NOC11H14 ABC11D14 -81.75 3.27 -8.89 -0.29 0
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382681 134973991 1 NSiO6C17H23 ABC6D17E23 -281.54 7.03 -9.72 -0.46 0
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382682 134973992 1 O2C21H24 A2B21C24 -52.12 2.12 -9.12 0.12 0
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382683 134973994 1 FC19H27 AB19C27 -67.43 1.68 -9.35 1.27 1
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382684 134973995 1 SN4O4C17H31 AB4C4D17E31 -165.55 4.97 0.0 0.0 0
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382685 134973996 1 O3C19H22 A3B19C22 -54.93 2.97 -9.9 -0.69 0
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382686 134973998 1 BNO5C18H24 ABC5D18E24 -115.66 3.66 -7.09 -0.06 0
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382687 134973999 1 BNSiO4C21H34 ABCD4E21F34 -116.27 4.77 -8.36 0.14 0
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382688 134974001 1 O3C9H16 A3B9C16 -163.6 3.87 -9.82 1.99 -1
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382690 134974003 1 SiO4C13H22 AB4C13D22 -228.39 2.45 -9.95 0.33 0
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382691 134974004 1 SiO7C24H42 AB7C24D42 -363.15 4.65 -8.62 0.49 0
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382693 134974007 2 OC9H13 AB9C13 -98.52 4.71 -9.1 0.43 0
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382694 134974008 1 SN2O10C34H50 AB2C10D34E50 -474.45 4.73 -9.04 -1.02 0
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382695 134974009 1 SiO3C20H26 AB3C20D26 -151.55 1.24 -9.44 0.21 0
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382696 134974010 1 SiO4C22H28 AB4C22D28 -178.74 3.26 -9.49 -0.04 -1
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382697 134974011 1 SiO3C20H27 AB3C20D27 -115.58 1.19 0.0 0.0 0
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382698 134974012 1 SiO3C20H28 AB3C20D28 -137.07 2.03 -9.03 0.22 0
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382699 134974013 1 NPO6C31H42 ABC6D31E42 -277.02 5.38 -8.49 -0.37 0
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382700 134974014 1 NPO6C31H44 ABC6D31E44 -282.51 2.99 -8.38 0.13 0
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382701 134974015 1 NO2C23H27 AB2C23D27 40.61 2.25 -9.12 -1.07 0
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382702 134974016 1 N2O3C32H46 A2B3C32D46 -108.37 1.68 -8.88 0.3 0
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382703 134974017 1 FNO4C18H24 ABC4D18E24 -187.33 5.67 -9.4 -0.44 0
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382704 134974021 2 SH7C11 AB7C11 108.83 0.86 -8.62 -0.89 0
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382705 134974022 1 SiO3C17H36 AB3C17D36 -140.51 2.47 -9.12 -0.45 0
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382706 134974023 1 SiO3C18H40 AB3C18D40 -169.67 1.75 -9.02 -0.36 0
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382707 134974024 1 O3C16H22 A3B16C22 -108.23 2.22 -9.38 -0.67 0
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382708 134974025 1 NO5C23H25 AB5C23D25 -152.2 2.33 -9.29 -0.66 0
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382709 134974026 1 NC14H21 AB14C21 -0.38 1.92 -8.55 0.51 0
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382710 134974027 1 N3O5C28H35 A3B5C28D35 -171.88 4.79 -8.27 -0.22 0
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382711 134974028 1 OH18C20 AB18C20 21.24 2.01 -8.71 0.21 0
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382712 134974029 1 SiO2C22H28 AB2C22D28 -79.53 1.73 -9.12 -0.59 0
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382713 134974030 1 SiO7C25H46 AB7C25D46 -382.15 3.44 -8.54 0.72 0
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382714 134974033 1 N4O4H20C21 A4B4C20D21 -78.84 8.87 -8.8 -1.86 0
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382715 134974034 2 O3N4H17C18 A3B4C17D18 -91.5 3.17 -8.64 -1.8 0
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382716 134974035 1 N4O4H18C21 A4B4C18D21 -47.52 6.35 -9.33 -2.21 0
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382717 134974036 1 O2C15H20 A2B15C20 -50.23 4.17 -8.82 0.25 0
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382718 134974037 1 O3F6H8C12 A3B6C8D12 -395.11 3.43 -9.92 -1.73 0
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382719 134974038 1 Br2F6O6H12C13 A2B6C6D12E13 -563.17 6.0 -11.23 -1.9 0
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382720 134974039 1 BrO3C11H13 AB3C11D13 -115.89 3.27 -9.76 -0.48 0
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382721 134974040 2 OC8H10 AB8C10 -52.64 3.31 -9.51 -0.4 0
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382722 134974041 1 NH21C24 AB21C24 145.89 0.92 -8.0 -0.32 0
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382723 134974042 1 NC13H13 AB13C13 68.39 3.26 -9.3 -0.22 0
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382724 134974045 1 O5C16H24 A5B16C24 -159.49 4.23 -9.27 -0.12 0
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382725 134974049 1 NO4C17H23 AB4C17D23 -179.41 6.53 -9.59 0.14 0
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382726 134974051 1 NSiO6C23H37 ABC6D23E37 -292.17 2.8 -8.91 0.48 0
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382727 134974052 1 NSiO4C19H31 ABC4D19E31 -176.85 1.58 -8.93 0.02 0
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382728 134974053 1 NSiO6C23H37 ABC6D23E37 -290.98 3.5 -9.19 0.5 0
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382729 134974054 1 BNSiO4C21H34 ABCD4E21F34 -120.97 3.74 -8.19 -0.04 0
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382730 134974055 1 O3C11H14 A3B11C14 -95.04 3.36 -9.97 -0.83 0
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382731 134974056 1 N2O4C5H6 A2B4C5D6 -99.6 3.37 -9.42 -0.8 0
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382732 134974057 1 N2O3C20H24 A2B3C20D24 -101.55 4.16 -8.62 -0.44 -1
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382733 134974058 1 OC18H25 AB18C25 9.8 2.48 0.0 0.0 0
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382734 134974059 1 OC18H26 AB18C26 -41.44 2.6 -8.92 0.47 -1
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382736 134974061 2 NO4C8H9 AB4C8D9 -298.4 4.63 -9.33 -1.16 0
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382737 134974062 1 NO3C17H19 AB3C17D19 -41.54 1.78 -8.98 -0.39 0