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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
42704 8149888 1 ClOS2N3H19C20 ABC2D3E19F20 44.89 10.17 0.0 0.0 0
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42705 8149889 1 ClOS2N3H18C20 ABC2D3E18F20 32.76 4.24 -8.71 -1.12 1
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42706 8149890 1 OSN3C22H28 ABC3D22E28 -5.99 7.78 0.0 0.0 0
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42707 8149893 1 OSN3C22H27 ABC3D22E27 -17.59 0.7 -8.67 -0.93 0
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42708 8149895 1 OSN3C22H27 ABC3D22E27 -17.97 2.22 -8.61 -0.85 0
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42709 8149897 1 OSN3C22H27 ABC3D22E27 -17.75 2.99 -8.56 -0.81 1
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42710 8149898 1 OS2N3C21H22 AB2C3D21E22 52.13 13.61 0.0 0.0 0
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42711 8149899 1 OS2N3C21H21 AB2C3D21E21 35.69 3.87 -8.66 -1.02 1
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42712 8149900 1 OS2N3C21H22 AB2C3D21E22 47.21 16.01 0.0 0.0 0
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42713 8149901 1 OS2N3C21H21 AB2C3D21E21 39.14 3.83 -8.65 -1.06 1
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42714 8149902 1 OSN6C18H21 ABC6D18E21 58.13 6.04 0.0 0.0 0
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42715 8149903 1 OSN6C18H20 ABC6D18E20 45.85 1.96 -8.61 -0.97 1
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42716 8149904 1 OSN6C21H27 ABC6D21E27 31.9 5.72 0.0 0.0 0
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42717 8149907 1 OSN6C21H26 ABC6D21E26 17.61 2.06 -8.66 -0.93 0
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42718 8149909 1 OSN6C21H26 ABC6D21E26 16.36 2.07 -8.67 -0.93 1
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42719 8149910 1 OSN6C21H27 ABC6D21E27 33.1 5.77 0.0 0.0 0
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42720 8149911 1 OSN6C21H26 ABC6D21E26 17.7 2.05 -8.67 -0.94 1
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42721 8149912 1 OSN6C21H29 ABC6D21E29 24.18 5.88 0.0 0.0 0
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42722 8149913 1 OSN6C21H28 ABC6D21E28 7.15 1.92 -8.68 -0.87 1
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42723 8149914 1 OSN6C21H29 ABC6D21E29 25.13 5.91 0.0 0.0 0
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42724 8149917 1 OSN3C21H29 ABC3D21E29 -41.05 2.96 -8.58 -0.83 1
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42725 8149918 1 OSN3C21H30 ABC3D21E30 -27.33 6.74 0.0 0.0 0
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42726 8149919 1 OSN3C21H29 ABC3D21E29 -42.3 2.97 -8.55 -0.79 0
Show
42727 8149921 1 OSN3C21H29 ABC3D21E29 -42.26 3.44 -8.56 -0.79 1
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42728 8149922 1 OSN3C21H30 ABC3D21E30 -26.88 7.9 0.0 0.0 0
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42729 8149923 1 OSN3C21H29 ABC3D21E29 -35.96 0.86 -8.67 -0.94 1
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42730 8149924 1 OS2N3C20H24 AB2C3D20E24 27.54 14.8 0.0 0.0 0
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42731 8149925 1 OS2N3C20H23 AB2C3D20E23 14.04 4.25 -8.63 -0.96 1
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42732 8149928 1 SN3O4C18H26 AB3C4D18E26 -150.36 19.64 0.0 0.0 0
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42733 8149929 1 SN3O4C18H25 AB3C4D18E25 -163.97 8.07 -9.06 -1.32 1
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42734 8149930 1 BrOSN3C19H21 ABCD3E19F21 23.03 10.8 0.0 0.0 0
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42735 8149931 1 BrOSN3C19H20 ABCD3E19F20 7.4 6.34 -8.86 -1.03 1
Show
42736 8149932 1 SN3O3C18H26 AB3C3D18E26 -118.81 17.34 0.0 0.0 1
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42737 8149934 1 SN3O3C18H26 AB3C3D18E26 -118.8 17.19 0.0 0.0 0
Show
42738 8149935 1 SN3O3C18H25 AB3C3D18E25 -132.42 6.06 -8.97 -1.24 1
Show
42739 8149936 1 OS2N3C18H22 AB2C3D18E22 19.8 14.93 0.0 0.0 0
Show
42740 8149937 1 OS2N3C18H21 AB2C3D18E21 5.01 4.54 -8.61 -0.97 1
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42741 8149940 1 OSN3C19H30 ABC3D19E30 -42.41 7.34 0.0 0.0 0
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42742 8149941 1 OSN3C19H29 ABC3D19E29 -59.07 3.57 -8.56 -0.72 0
Show
42743 8149943 1 OSN3C19H29 ABC3D19E29 -58.71 3.32 -8.6 -0.76 0
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42744 8149945 1 SN3O3C23H29 AB3C3D23E29 -88.84 4.76 -8.43 -0.84 1
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42745 8149946 1 SN3O3C23H30 AB3C3D23E30 -70.34 3.76 0.0 0.0 0
Show
42746 8149947 1 SN3O3C23H29 AB3C3D23E29 -87.42 4.19 -8.42 -0.85 0
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42747 8149949 1 SN3O3C23H29 AB3C3D23E29 -87.62 3.15 -8.15 -0.69 1
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42748 8149950 1 SN3O3C23H30 AB3C3D23E30 -74.9 6.84 0.0 0.0 0
Show
42749 8149951 1 SN3O3C23H29 AB3C3D23E29 -87.94 2.89 -8.27 -0.79 2
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42750 8149952 1 OSN5C22H29 ABC5D22E29 66.95 13.56 -5.16 -1.58 0
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42751 8149953 1 OSN5C22H27 ABC5D22E27 6.45 1.67 -8.63 -0.97 0
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42752 8149955 1 OSN5C22H27 ABC5D22E27 7.61 3.18 -8.61 -0.87 0
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42753 8149957 1 OSN5C22H27 ABC5D22E27 6.08 1.86 -8.66 -0.92 2
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42754 8149958 1 OSN5C22H29 ABC5D22E29 68.06 14.24 -5.11 -1.64 0
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42755 8149959 1 OSN5C22H27 ABC5D22E27 7.21 1.82 -8.65 -0.91 0
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42756 8149961 1 OSN5C22H29 ABC5D22E29 -3.91 2.17 -8.69 -0.88 2
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42757 8149962 1 OSN5C22H31 ABC5D22E31 56.43 15.44 -5.23 -2.01 0
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42758 8149963 1 OSN5C22H29 ABC5D22E29 -0.61 3.34 -8.67 -0.85 1
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42759 8149964 1 SO2N3C18H28 AB2C3D18E28 -72.15 6.37 0.0 0.0 0
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42760 8149965 1 SO2N3C18H27 AB2C3D18E27 -89.78 3.12 -8.53 -0.75 1
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42761 8149968 1 SO2N3C18H28 AB2C3D18E28 -77.54 11.6 0.0 0.0 0
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42762 8149969 1 SO2N3C18H27 AB2C3D18E27 -85.14 3.5 -8.54 -0.78 1
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42763 8149970 1 SO2N3C18H28 AB2C3D18E28 -76.22 13.91 0.0 0.0 0
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42764 8149971 1 SO2N3C18H27 AB2C3D18E27 -88.1 3.85 -8.55 -0.79 0
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42765 8149973 1 O2S2N3C17H21 A2B2C3D17E21 -32.57 6.32 -8.57 -0.92 1
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42766 8149974 1 O2S2N3C17H22 A2B2C3D17E22 -22.71 16.47 0.0 0.0 0
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42767 8149975 1 O2S2N3C17H21 A2B2C3D17E21 -33.5 3.99 -8.43 -1.0 0
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42768 8149977 1 ClSO2N3C20H22 ABC2D3E20F22 -54.02 3.09 -8.56 -0.94 0
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42769 8149978 1 ClSO2N3C20H22 ABC2D3E20F22 -53.68 2.65 -8.5 -0.91 0
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42770 8149979 1 ClSO2N3C20H22 ABC2D3E20F22 -53.96 3.55 -8.54 -0.97 0
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42771 8149981 1 ClSO2N3C20H24 ABC2D3E20F24 -57.66 3.08 -8.52 -1.08 0
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42772 8149985 1 OSN3C21H25 ABC3D21E25 -22.67 2.68 -8.57 -0.82 0
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42773 8149987 1 OSN3C21H25 ABC3D21E25 -22.32 2.43 -8.58 -0.82 0
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42774 8149988 1 OSN3C21H25 ABC3D21E25 -21.2 2.35 -8.58 -0.84 0
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42775 8149989 1 OSN3C21H25 ABC3D21E25 -21.72 2.39 -8.59 -0.84 0
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42776 8149990 1 ClOSN3H18C21 ABCD3E18F21 27.98 3.35 -8.82 -1.03 0
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42777 8149991 1 SN3O3C20H23 AB3C3D20E23 -102.08 3.81 -8.89 -1.32 0
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42778 8149992 1 SN3O3C20H23 AB3C3D20E23 -101.3 4.54 -8.97 -1.34 0