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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390776 135000864 1 SiO2C19H34 AB2C19D34 -164.97 2.37 -8.58 0.73 0
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390777 135000869 1 LiOSiC18H21 ABCD18E21 -55.54 4.16 -7.67 -0.04 0
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390778 135000871 1 OSiC21H28 ABC21D28 -28.29 1.48 -8.81 0.27 0
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390779 135000873 1 PC28H37 AB28C37 30.54 1.43 -8.38 0.28 0
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390780 135000880 2 H10C11 A10B11 70.47 0.72 -9.16 0.25 0
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390781 135000887 1 SN2O2H26C28 AB2C2D26E28 6.55 8.71 -8.88 -0.73 0
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390782 135000902 1 NO3C9H17 AB3C9D17 -101.6 4.58 -9.28 -0.04 0
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390783 135000919 1 NO4C19H21 AB4C19D21 -102.02 3.0 -8.37 -0.46 0
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390784 135000928 1 NO5H19C21 AB5C19D21 -54.0 4.47 -8.65 -0.55 0
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390785 135000935 1 O3C15H22 A3B15C22 -147.57 1.99 -9.44 0.17 0
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390786 135000947 1 O5C14H24 A5B14C24 -258.17 3.22 -10.09 0.44 0
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390787 135000948 1 O5C15H26 A5B15C26 -263.97 3.93 -10.09 0.45 0
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390788 135000950 1 NO2C24H31 AB2C24D31 -53.98 1.86 -8.92 0.32 0
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390790 135000961 1 NSO5C25H29 ABC5D25E29 -165.47 6.42 -9.43 -0.52 0
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390791 135000967 1 FeNSH17C19 ABCD17E19 273.21 5.71 -7.48 -3.0 0
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390793 135000970 1 NSH9C13 ABC9D13 134.39 1.84 -8.56 -1.89 0
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390794 135000976 1 SN2C14H20 AB2C14D20 21.52 2.05 -8.4 -0.57 -1
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390796 135000986 1 SeN2H16C17 AB2C16D17 90.34 2.6 -8.2 -0.59 0
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390797 135000988 1 NSeBr2O2H19C23 ABC2D2E19F23 20.13 1.53 -8.76 -1.98 0
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390798 135000989 1 SeN2O3H8C9 AB2C3D8E9 2.94 6.96 -8.96 -1.4 0
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390799 135000990 1 SeO3N4C7H10 AB3C4D7E10 -13.37 7.3 -8.77 -1.12 0
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390800 135000998 2 OC13H17 AB13C17 -72.34 2.06 -8.91 0.34 0
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390801 135001003 1 SN2O3H26C30 AB2C3D26E30 59.4 6.33 -8.33 -0.47 0
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390802 135001016 1 O3H22C29 A3B22C29 -10.14 2.05 -8.59 -0.94 0
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390803 135001036 1 OC24H24 AB24C24 21.9 2.84 -8.9 0.17 0
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390804 135001037 2 OC12H12 AB12C12 -9.25 3.74 -8.94 0.11 0
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390805 135001040 1 NSO2C15H19 ABC2D15E19 -17.53 6.21 -9.44 -0.47 0
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390806 135001046 1 ON2C12H14 AB2C12D14 1.31 3.04 -8.34 0.07 0
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390807 135001048 1 FNOC18H18 ABCD18E18 -48.22 2.4 -8.57 -0.01 0
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390808 135001053 1 NOC20H31 ABC20D31 -85.59 4.21 -8.82 0.68 0
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390809 135001061 1 O3C8H14 A3B8C14 -67.8 1.69 -9.97 0.13 0
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390810 135001064 1 SO6C16H22 AB6C16D22 -248.66 2.94 -8.64 0.01 0
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390811 135001066 1 O3C7H14 A3B7C14 -95.12 2.79 -9.49 0.03 0
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390812 135001100 1 NO2C22H27 AB2C22D27 -47.37 8.52 -8.25 -0.81 0
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390813 135001101 1 NO3C22H27 AB3C22D27 -77.2 9.67 -8.16 -0.84 0
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390814 135001108 1 SN2Se2O8H22C23 AB2C2D8E22F23 -254.62 7.77 -8.28 -1.72 0
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390815 135001110 1 NSeO2H15C18 ABC2D15E18 19.36 7.67 -8.87 -0.99 0
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390816 135001111 1 OSeN3C15H17 ABC3D15E17 10.12 6.33 -8.16 -0.51 0
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390817 135001112 1 NO3C9H15 AB3C9D15 -141.54 2.13 -10.62 0.34 0
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390818 135001114 1 PN2O3C16H25 AB2C3D16E25 -155.62 5.23 -9.16 0.29 0
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390819 135001119 1 ON2C20H24 AB2C20D24 20.08 3.37 -8.97 -0.44 0
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390820 135001122 1 NSCl2O2H19C21 ABC2D2E19F21 -33.12 2.72 -9.47 -0.52 0
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390821 135001125 1 FeSiC20H22 ABC20D22 83.99 1.79 -7.49 -0.25 0
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390822 135001131 1 N3O5H13C17 A3B5C13D17 -42.74 6.0 -9.12 -1.57 0
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390823 135001133 1 SO2N5H15C21 AB2C5D15E21 126.51 8.38 -9.03 -2.02 0
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390824 135001137 1 OC14H24 AB14C24 -62.3 1.42 -9.15 1.13 0
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390825 135001138 1 OC22H24 AB22C24 -14.88 4.22 -8.64 0.18 3
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390827 135001143 1 SO2N3C18H23 AB2C3D18E23 -40.12 5.12 -8.7 -0.5 0
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390828 135001148 1 O2F3C13H13 A2B3C13D13 -234.56 7.72 -10.15 -0.57 0
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390829 135001151 1 BO4C19H27 AB4C19D27 -236.59 1.75 -9.34 0.06 0