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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390726 135000593 1 NO5H11C14 AB5C11D14 -98.22 4.43 -10.35 -1.66 0
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390727 135000594 1 SN2O5F6C14H14 AB2C5D6E14F14 -398.78 10.9 -10.67 -2.06 0
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390728 135000599 1 OSF3C16H19 ABC3D16E19 -196.54 5.02 -9.1 -0.42 1
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390729 135000601 1 NOC23H38 ABC23D38 -62.93 2.59 0.0 0.0 0
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390730 135000602 1 ClN2O2F3C13H16 AB2C2D3E13F16 -168.44 8.09 -8.78 -1.28 0
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390731 135000609 1 ClNS2O4H18C23 ABC2D4E18F23 -56.94 9.66 -9.13 -1.01 0
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390732 135000630 1 OC21H22 AB21C22 3.97 3.41 -9.05 -0.14 0
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390733 135000631 1 OC16H20 AB16C20 -31.93 3.07 -9.25 0.39 0
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390734 135000633 1 SN2O2C19H24 AB2C2D19E24 -60.11 8.4 -8.81 -0.7 0
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390735 135000634 1 OSiC15H24 ABC15D24 -67.3 2.21 -9.22 0.31 0
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390736 135000637 1 BSiO3C24H33 ABC3D24E33 -190.12 3.74 -8.42 0.37 0
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390737 135000639 1 N2O2C21H32 A2B2C21D32 -94.18 3.7 -8.84 0.16 0
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390738 135000640 2 NOC12H15 ABC12D15 -44.97 6.43 -9.12 0.01 0
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390739 135000656 1 NO4H23C24 AB4C23D24 -98.61 1.67 -8.34 -0.46 0
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390740 135000671 1 O3C14H20 A3B14C20 -137.72 1.41 -9.47 0.14 0
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390741 135000673 1 BrSH19C20 ABC19D20 46.87 1.88 -8.77 -0.7 0
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390742 135000677 1 NO2C29H43 AB2C29D43 -105.76 2.73 -8.71 0.42 0
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390743 135000678 1 NO2C28H33 AB2C28D33 -44.9 2.89 -8.88 0.3 0
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390744 135000680 1 SSiO3N5C23H31 ABC3D5E23F31 -101.86 5.56 -9.0 -1.17 0
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390745 135000688 1 O2N5H19C22 A2B5C19D22 36.51 3.96 -9.75 -1.27 0
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390746 135000689 1 O5C13H16 A5B13C16 -133.47 4.44 -9.67 -0.49 0
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390747 135000707 1 SnO2C22H46 AB2C22D46 -146.09 0.74 -8.32 0.84 0
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390748 135000724 2 OC7H9 AB7C9 -57.44 2.52 -9.37 0.32 0
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390749 135000742 1 O3C17H24 A3B17C24 -54.91 2.13 -9.68 1.0 2
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390750 135000744 1 CoP3F7C16H30 AB3C7D16E30 -577.09 0.92 0.0 0.0 0
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390751 135000763 1 N2O3C23H26 A2B3C23D26 -91.07 4.04 -8.06 -0.05 0
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390752 135000770 1 NF3C16H24 AB3C16D24 -185.07 6.83 -8.72 -0.11 0
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390753 135000771 1 NOSiC17H31 ABCD17E31 -110.56 0.6 -8.32 0.45 0
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390754 135000772 1 NO4H23C24 AB4C23D24 -99.7 1.53 -8.35 -0.47 0
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390755 135000777 1 OC9H16 AB9C16 -42.93 2.89 -9.91 0.85 0
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390756 135000780 1 NOSiC16H31 ABCD16E31 -113.23 1.02 -8.49 0.96 0
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390757 135000787 1 OC16H20 AB16C20 -35.33 2.79 -9.32 0.12 0
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390758 135000788 1 NO2C17H21 AB2C17D21 -54.93 4.25 -8.27 0.06 0
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390759 135000795 1 N2O5C36H38 A2B5C36D38 -97.08 4.71 -9.18 -1.57 0
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390760 135000806 2 OC5H8 AB5C8 -113.03 3.33 -10.11 0.57 0
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390761 135000807 1 NO2C18H29 AB2C18D29 -107.38 4.9 -9.28 0.26 0
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390762 135000810 2 NO2C9H13 AB2C9D13 -101.91 4.52 -9.58 -0.32 0
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390763 135000812 1 SO3C20H28 AB3C20D28 -131.61 2.33 -8.62 0.1 0
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390764 135000817 1 ClF3O3H8C10 AB3C3D8E10 -207.54 2.93 -9.75 -1.0 0
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390765 135000819 1 NO6C14H17 AB6C14D17 -168.02 4.37 -9.54 -0.4 0
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390766 135000824 1 N2S2O5C29H30 A2B2C5D29E30 -79.53 4.71 -9.33 -1.37 0
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390767 135000826 1 NO2C20H27 AB2C20D27 -88.0 2.86 -9.41 0.16 0
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390768 135000827 1 NO2C21H29 AB2C21D29 -95.8 2.15 -9.27 0.36 0
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390769 135000832 1 NSO5C14H15 ABC5D14E15 -165.39 3.75 -10.59 -1.46 0
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390770 135000842 1 TiO2C6H10 AB2C6D10 -26.03 2.22 -6.95 -0.9 0
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390771 135000846 1 S2N3O5H7C9 A2B3C5D7E9 -62.1 8.65 -9.56 -1.68 -1
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390772 135000860 1 IOZnC7H14 ABCD7E14 4.07 5.26 0.0 0.0 0
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390773 135000861 1 O4C15H18 A4B15C18 -148.62 4.19 -10.2 -0.77 0
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390774 135000862 1 BO6C33H33 AB6C33D33 -169.82 3.28 -9.48 0.02 0
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390775 135000863 1 BO6C33H33 AB6C33D33 -168.44 4.53 -9.46 0.0 0
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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