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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381989 134972883 1 FO2H11C17 AB2C11D17 -34.83 3.9 -9.43 -0.75 0
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381990 134972884 1 CuLiNOH5C9 ABCDE5F9 118.31 11.12 -8.26 0.5 -1
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381991 134972888 1 S2H13C25 A2B13C25 232.11 1.46 0.0 0.0 0
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381992 134972889 1 S2H14C25 A2B14C25 207.17 1.22 -8.53 -1.2 1
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381993 134972890 1 SN4O5C36H45 AB4C5D36E45 -182.81 7.28 0.0 0.0 0
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381994 134972891 1 O5H28C29 A5B28C29 -123.54 3.76 -8.82 -0.96 0
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381995 134972892 1 O3C20H26 A3B20C26 -15.05 2.77 -7.57 -0.32 0
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381996 134972893 1 N2O2C23H38 A2B2C23D38 -51.75 3.84 -9.13 0.66 0
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381997 134972894 1 SiO2C21H40 AB2C21D40 -156.38 2.69 -8.28 0.8 0
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381998 134972895 1 O7C18H22 A7B18C22 -276.16 6.05 -9.15 -0.68 0
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381999 134972896 1 O3C13H14 A3B13C14 -104.25 2.47 -9.7 -0.04 0
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382000 134972897 1 ISi2O4C18H37 AB2C4D18E37 -291.54 2.09 -8.86 -1.1 0
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382002 134972900 1 SC14H14 AB14C14 103.33 1.52 -8.78 -0.8 0
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382003 134972902 1 SiO2C22H30 AB2C22D30 -99.26 2.72 -8.97 0.14 0
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382004 134972903 1 NO2C12H19 AB2C12D19 -91.44 3.22 -9.67 0.44 -1
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382005 134972904 1 OS2H15C26 AB2C15D26 192.03 3.12 0.0 0.0 0
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382006 134972905 1 OS2H16C26 AB2C16D26 165.81 3.61 -8.37 -1.1 -1
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382007 134972906 1 IS2H8C17 AB2C8D17 175.87 0.56 0.0 0.0 0
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382008 134972907 1 IS2H9C17 AB2C9D17 150.32 1.91 -8.68 -1.18 0
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382009 134972909 1 IN3O4C27H28 AB3C4D27E28 -4.66 3.84 -8.68 -1.48 0
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382010 134972910 3 OC6H8 AB6C8 -118.98 3.22 -8.66 0.42 0
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382011 134972913 1 OC16H22 AB16C22 -36.09 1.6 -8.2 0.2 0
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382012 134972915 1 CrOC10H12 ABC10D12 43.36 2.58 -7.52 0.26 0
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382013 134972916 1 O3C16H24 A3B16C24 -154.76 6.7 -9.58 0.71 0
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382014 134972917 1 SiO3C21H36 AB3C21D36 -175.41 1.78 -8.6 0.35 0
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382015 134972918 1 NS3O11C29H33 AB3C11D29E33 -395.66 7.16 -9.2 -0.47 0
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382016 134972919 1 CuNH4C7 ABC4D7 121.44 5.8 -9.39 -0.3 0
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382017 134972920 1 Cl2O2H10C17 A2B2C10D17 -1.95 5.41 -9.46 -0.85 0
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382018 134972921 4 NOC4H4 ABC4D4 -74.99 1.2 -9.48 -1.25 0
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382019 134972922 1 NPCl3O4C8H13 ABC3D4E8F13 -207.42 3.57 -9.51 -0.72 2
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382020 134972923 1 F2N2O2C55H64 A2B2C2D55E64 -61.23 12.78 -8.23 -0.6 0
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382021 134972924 1 O5C12H20 A5B12C20 -234.17 4.95 -9.97 0.09 0
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382022 134972925 1 ON2C7H8 AB2C7D8 1.82 4.52 -8.55 -0.94 1
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382023 134972926 1 OC4H9 AB4C9 -44.54 1.28 0.0 0.0 0
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382024 134972927 1 O4C13H14 A4B13C14 -134.35 4.11 -8.57 -0.77 0
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382025 134972928 1 O5C11H18 A5B11C18 -242.82 2.62 -10.48 0.19 0
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382026 134972929 2 OH10C11 AB10C11 -7.3 0.38 -8.53 -0.08 0
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382027 134972930 1 IOC12H15 ABC12D15 -8.96 3.1 -8.74 -0.62 0
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382028 134972931 1 NSO9C15H19 ABC9D15E19 -363.12 4.21 -9.27 -0.62 0
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382029 134972932 2 N2O4C7H11 A2B4C7D11 -279.32 3.84 -10.04 -0.96 0
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382030 134972933 1 SN2O12C26H38 AB2C12D26E38 -533.92 12.76 -9.25 -1.21 1
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382031 134972934 1 N5O7C15H26 A5B7C15D26 -251.13 5.01 0.0 0.0 0
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382032 134972935 1 N5O7C15H25 A5B7C15D25 -272.67 5.43 -9.94 -0.06 0
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382033 134972936 1 O2C23H24 A2B23C24 44.18 4.05 -9.74 -0.15 0
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382034 134972937 1 O2C13H20 A2B13C20 -77.5 1.24 -10.24 -0.47 0
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382035 134972939 1 FNO9C11H18 ABC9D11E18 -459.91 4.26 -10.49 -0.42 0
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382036 134972941 1 NS2O13C30H39 AB2C13D30E39 -577.65 5.8 -9.13 -0.61 0
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382037 134972942 1 NPSeO15C30H42 ABCD15E30F42 -704.31 2.76 -8.54 -0.45 0
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382038 134972943 1 NPSO16C31H42 ABCD16E31F42 -719.9 2.47 -9.1 -1.2 0
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382039 134972944 1 NO8C40H43 AB8C40D43 -228.79 3.05 -9.3 -0.3 0
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382040 134972945 1 NO7C37H43 AB7C37D43 -215.95 2.86 -9.16 -0.26 0
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382041 134972946 1 NO8C39H45 AB8C39D45 -262.72 3.83 -9.14 0.14 0
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382042 134972947 1 N4O6C37H40 A4B6C37D40 -78.92 3.69 -9.27 -0.26 0
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382043 134972950 2 O3C4H7 A3B4C7 -275.22 3.98 -10.31 0.86 0
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382044 134972951 1 N3H15C16 A3B15C16 84.34 2.07 -8.19 -0.66 0
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382045 134972952 1 IO3N6C15H19 AB3C6D15E19 9.11 2.19 -9.07 -0.8 0
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382046 134972954 2 N2O2C7H7 A2B2C7D7 -106.84 5.94 -8.9 -1.18 0
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382047 134972955 1 O4C11H14 A4B11C14 -157.2 3.28 -9.88 -0.12 0
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382048 134972956 1 SiO3C24H36 AB3C24D36 -98.13 3.08 -8.66 0.29 0
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382050 134972961 1 Br2O2H18C19 A2B2C18D19 10.6 3.68 -9.62 -0.91 0
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382052 134972963 1 S6N13O30C50H87 A6B13C30D50E87 -1319.04 10.45 -8.75 -0.85 0
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382053 134972966 1 SN5O7C16H23 AB5C7D16E23 -226.42 6.24 -9.35 -0.79 0
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382054 134972968 1 SiO2C14H28 AB2C14D28 -149.14 1.74 -8.8 0.04 0
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382055 134972970 1 S3N9O15C28H53 A3B9C15D28E53 -642.0 12.91 -8.65 -0.66 0
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382056 134972971 1 SN4O7C13H16 AB4C7D13E16 -201.93 4.99 -9.36 -0.81 0
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382057 134972972 1 SN3O9C21H33 AB3C9D21E33 -413.74 6.97 -9.33 -0.76 0
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382058 134972973 1 N2O13C25H38 A2B13C25D38 -612.53 8.16 -9.6 -0.33 0
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382059 134972974 1 S3N10O15C29H54 A3B10C15D29E54 -653.4 3.12 -8.83 -0.74 0
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382060 134972976 1 OH18C25 AB18C25 64.12 0.71 -8.53 -0.56 0
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382061 134972977 2 O2H11C12 A2B11C12 -63.74 2.22 -8.33 -0.16 0
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382062 134972978 1 OH20C23 AB20C23 31.77 0.27 -8.54 -0.12 0
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382063 134972979 1 OSiN2C37H38 ABC2D37E38 48.76 3.12 -8.78 -0.65 1
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382065 134972983 1 OSC22H24 ABC22D24 -5.67 4.24 -8.19 -0.52 0
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382066 134972984 1 O3N4C24H24 A3B4C24D24 80.72 1.89 -9.01 -0.25 0
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382067 134972985 1 N3O5H29C33 A3B5C29D33 -53.26 5.61 -8.46 -0.65 0
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382068 134972986 1 N3O5H29C33 A3B5C29D33 -47.41 2.61 -8.54 -0.57 0
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382069 134972987 1 O2H24C41 A2B24C41 103.38 1.2 -8.34 -0.98 0
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382070 134972990 1 SSiN3O7C34H47 ABC3D7E34F47 -225.21 2.13 -9.06 -0.34 0
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382071 134972992 1 SiN3O5C33H45 AB3C5D33E45 -146.22 2.01 -9.07 -0.22 0
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382072 134972993 1 NO6C35H43 AB6C35D43 -211.89 3.61 -9.15 0.17 0
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382073 134972994 1 NO3C30H33 AB3C30D33 -4.16 3.03 -7.9 0.28 0
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382074 134972995 1 OSC12H20 ABC12D20 -66.91 1.57 -8.85 0.4 0
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382075 134972996 1 CuLiON2C11H12 ABCD2E11F12 103.96 9.89 -7.36 0.87 0
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382076 134972998 1 PN2S2O9C47H61 AB2C2D9E47F61 -391.14 2.86 -8.6 -0.44 0
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382077 134972999 1 OH16C22 AB16C22 40.56 0.75 -8.19 -0.81 0
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382078 134973000 1 FNO4C18H24 ABC4D18E24 -214.97 2.96 -9.07 -1.08 0
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382079 134973001 1 NOC21H23 ABC21D23 22.82 3.7 -9.3 -0.46 0
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382080 134973003 1 NO2C22H25 AB2C22D25 -18.19 4.4 -8.83 -0.24 0
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382081 134973004 1 NO4C23H27 AB4C23D27 -122.73 4.15 -8.8 -0.66 0
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382082 134973005 1 NO2C18H25 AB2C18D25 -61.23 5.06 -8.8 -0.11 0
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382083 134973006 1 NO4C19H27 AB4C19D27 -167.68 4.9 -9.06 -0.23 0
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382084 134973007 1 NO3C23H27 AB3C23D27 -51.45 3.73 -8.38 -0.47 0
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382085 134973009 1 NO3C23H27 AB3C23D27 -59.78 7.55 -8.66 -0.18 0
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382086 134973011 1 NO3C23H27 AB3C23D27 -55.0 3.83 -8.42 -0.47 0
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382087 134973014 1 PO4C13H19 AB4C13D19 -182.58 3.22 -9.98 0.28 0
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382088 134973015 1 O3C16H20 A3B16C20 -57.34 5.02 -8.88 0.18 0
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382089 134973017 1 SiO9C32H46 AB9C32D46 -393.96 8.61 -8.57 -0.55 0
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382090 134973019 1 PO2C23H23 AB2C23D23 -21.4 6.22 -9.29 -0.24 0
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382091 134973020 2 NO2C25H26 AB2C25D26 -58.4 5.11 -7.58 -1.13 0
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382092 134973021 1 ON2C19H28 AB2C19D28 -20.35 2.95 -8.88 0.57 0