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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393882 135021903 1 OC19H22 AB19C22 -15.52 1.41 -9.25 0.34 0
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393883 135021904 1 ClOC20H23 ABC20D23 -26.96 2.77 -9.23 0.03 0
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393884 135021905 1 ClOC25H25 ABC25D25 2.36 3.04 -9.21 0.03 -1
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393885 135021907 1 ON3C9H16 AB3C9D16 -1.3 3.51 0.0 0.0 0
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393886 135021908 1 ON3C9H17 AB3C9D17 -20.48 2.46 -9.51 0.33 0
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393887 135021914 1 N2O4H16C17 A2B4C16D17 -51.26 1.99 -9.62 -1.43 0
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393888 135021915 1 O2N3H13C15 A2B3C13D15 31.27 1.47 -8.44 -0.86 0
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393889 135021916 1 ClS2H19C22 AB2C19D22 77.63 1.29 -8.72 -0.67 0
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393890 135021917 1 F2N2O3C14H14 A2B2C3D14E14 -202.1 4.74 -9.83 -1.11 0
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393891 135021918 1 N2O2C19H19 A2B2C19D19 0.51 3.77 0.0 0.0 0
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393892 135021919 1 NO7C24H31 AB7C24D31 -270.92 6.24 -8.18 -0.14 0
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393893 135021920 2 ON2C10H10 AB2C10D10 12.62 6.26 -8.61 -0.86 0
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393894 135021921 2 O2C12H15 A2B12C15 -130.21 1.58 -9.65 -0.81 0
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393895 135021922 2 ClOH6C8 ABC6D8 -43.89 3.21 -9.6 -1.05 0
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393896 135021923 1 ClFO2H14C17 ABC2D14E17 -90.52 2.83 -9.54 -0.87 0
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393897 135021924 1 PO2C20H23 AB2C20D23 -49.77 6.31 -7.36 -0.39 0
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393898 135021925 2 NOC13H14 ABC13D14 41.56 8.54 -8.1 -1.2 0
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393899 135021926 1 NO5C18H23 AB5C18D23 -171.64 6.33 -9.7 -0.19 0
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393900 135021927 6 OC3H4 AB3C4 -226.6 0.44 -9.23 -0.49 0
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393901 135021928 1 O13C45H82 A13B45C82 -709.38 3.08 -9.51 0.27 0
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393902 135021929 1 O13C40H74 A13B40C74 -705.65 4.42 -10.46 0.26 0
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393903 135021934 1 NO4H9C10 AB4C9D10 -83.32 3.83 -8.68 -0.56 0
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393904 135021935 1 C11H14 A11B14 26.05 0.76 -8.89 0.43 0
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393905 135021936 2 O2C7H11 A2B7C11 -160.98 3.02 -9.17 0.88 0
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393906 135021937 1 NSO3H17C18 ABC3D17E18 -77.98 4.02 -9.0 -0.57 0
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393907 135021938 1 NSO4C22H25 ABC4D22E25 -140.3 4.9 -8.91 -0.46 0
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393909 135021946 1 O2C15H24 A2B15C24 -118.78 2.47 -9.65 0.92 0
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393910 135021949 3 C5H8 A5B8 -29.55 1.12 -8.67 1.54 0
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393911 135021950 1 N2O7C27H32 A2B7C27D32 -293.03 4.0 -9.04 -0.59 0
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393912 135021951 1 O13C46H84 A13B46C84 -708.85 4.69 -9.58 0.34 0
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393913 135021952 1 O13C47H86 A13B47C86 -728.05 3.96 -9.57 0.58 0
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393914 135021953 1 O13C49H88 A13B49C88 -704.94 5.69 -9.54 0.19 0
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393915 135021954 1 Si6O11C30H70 A6B11C30D70 -821.11 0.58 -9.4 0.63 0
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393916 135021955 1 N7C51H55 A7B51C55 188.15 4.29 -8.96 -1.38 0
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393917 135021956 1 O2N5H29C39 A2B5C29D39 167.38 2.78 -9.01 -1.56 0
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393918 135021957 1 N3O3H17C19 A3B3C17D19 33.6 11.06 -9.11 -1.22 0
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393919 135021958 1 O3N4C24H24 A3B4C24D24 66.42 9.74 -8.24 -0.76 0
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393920 135021959 1 ON4C24H26 AB4C24D26 48.4 7.86 -8.06 -0.16 0
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393921 135021960 2 OC7H7 AB7C7 -67.14 2.73 -9.3 -0.04 1
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393922 135021962 1 AuNPS2O4F6C31H46 ABCD2E4F6G31H46 -454.57 16.91 0.0 0.0 1
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393923 135021963 1 AuNPS2F6O6C37H54 ABCD2E6F6G37H54 -410.11 4.7 0.0 0.0 0
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393924 135021964 2 OC8H10 AB8C10 -54.08 3.89 -8.2 0.27 0
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393925 135021965 1 ON2C19H22 AB2C19D22 10.51 1.85 -8.63 -0.17 0
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393926 135021966 1 NO4C16H25 AB4C16D25 -176.84 3.33 -9.99 0.44 0
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393927 135021967 1 ClON2H17C21 ABC2D17E21 17.02 1.52 -8.79 -1.22 0
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393928 135021968 1 NO2C16H19 AB2C16D19 -71.36 3.57 -9.44 -0.25 0
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393929 135021990 1 ClO2H15C18 AB2C15D18 -16.21 3.76 -9.2 -1.14 0
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393930 135021991 1 FPSN2C25H28 ABCD2E25F28 12.63 5.5 -8.39 -0.18 0
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393931 135021992 1 O3H16C20 A3B16C20 -3.21 6.73 -8.66 -1.56 0
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393932 135021994 1 SiO5C26H34 AB5C26D34 -225.12 3.17 -8.94 0.18 0
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393933 135021999 1 NO2C11H15 AB2C11D15 -86.64 7.47 -10.87 0.81 0
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393934 135022009 1 ClO3H15C17 AB3C15D17 -68.52 2.28 -8.9 -0.71 0
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393935 135022015 1 SiO4C21H36 AB4C21D36 -241.47 8.13 -8.58 -0.33 0
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393936 135022017 1 OS2H22C23 AB2C22D23 35.75 2.1 -8.68 -0.36 0
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393937 135022018 1 ON3C15H15 AB3C15D15 49.26 5.03 -9.24 -0.55 0
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393938 135022019 1 NSiO5C23H37 ABC5D23E37 -272.49 1.94 -8.83 -0.25 0
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393939 135022020 1 OC15H20 AB15C20 -22.36 0.78 -9.06 0.25 0
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393941 135022023 1 SiO5C26H34 AB5C26D34 -224.63 2.35 -8.95 0.14 0
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393942 135022024 1 O3C15H20 A3B15C20 -126.15 4.26 -9.83 -0.31 -1
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393943 135022032 1 SO2N4C13H13 AB2C4D13E13 49.22 7.52 0.0 0.0 0
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393944 135022033 1 SO2N4C13H14 AB2C4D13E14 36.64 5.81 -8.66 -0.78 -1
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393945 135022034 1 SO2N4H15C17 AB2C4D15E17 63.36 8.11 0.0 0.0 0
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393946 135022035 1 SO2N4H16C17 AB2C4D16E17 53.3 5.31 -8.63 -0.7 -1
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393947 135022036 1 CH2N3 AB2C3 90.33 2.33 0.0 0.0 0
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393949 135022038 1 ClNO3H16C18 ABC3D16E18 -87.54 3.65 -9.69 -0.44 0
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393950 135022039 1 NO4C16H19 AB4C16D19 -139.55 3.8 -9.41 0.13 0
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393951 135022040 1 BrO3C20H23 AB3C20D23 -86.84 4.16 -9.52 -0.12 0
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393952 135022041 1 OC15H20 AB15C20 -22.17 2.65 -9.36 0.38 0
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393953 135022042 1 O2C13H22 A2B13C22 -82.91 2.39 -9.53 0.4 0
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393954 135022043 1 SiO3C22H40 AB3C22D40 -187.72 2.19 -8.76 -0.09 0
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393955 135022044 1 O3C23H26 A3B23C26 -73.27 3.7 -8.3 -0.07 0
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393956 135022045 2 C9H10 A9B10 27.8 1.06 -8.85 0.49 0
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393957 135022046 1 N2O3C16H18 A2B3C16D18 -63.16 5.16 -9.48 -0.67 0
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393958 135022048 1 NH37C52 AB37C52 215.58 1.65 -8.6 -0.56 0
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393959 135022049 1 O3C11H22 A3B11C22 -159.71 4.08 -10.21 0.67 0
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393960 135022053 1 N2O2C15H16 A2B2C15D16 5.42 2.05 -8.62 -0.63 0
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393961 135022055 1 FOH17C19 ABC17D19 -35.93 2.11 -9.52 -0.55 0
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393962 135022056 1 FOH17C19 ABC17D19 -35.94 2.8 -9.51 -0.5 0
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393963 135022057 1 FC23H25 AB23C25 -11.24 2.95 -8.62 0.07 0
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393964 135022058 1 FC23H25 AB23C25 -10.99 2.6 -8.65 0.03 0
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393965 135022059 1 FC23H25 AB23C25 -9.31 2.73 -8.75 0.08 0
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393966 135022060 1 FC23H25 AB23C25 -9.67 2.53 -8.78 0.05 0
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393967 135022061 1 FC23H25 AB23C25 -10.33 3.53 -8.68 0.17 0
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393968 135022062 1 ClO2N3C15H16 AB2C3D15E16 37.1 6.52 -9.07 -1.24 0
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393969 135022063 1 NO2C18H19 AB2C18D19 -16.5 4.2 -8.58 -0.41 0
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393970 135022073 1 NO5C19H25 AB5C19D25 -186.94 4.33 -9.83 -0.75 0
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393971 135022074 1 NO5C17H17 AB5C17D17 -161.1 8.19 -9.78 -0.88 0
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393972 135022075 1 NO5C17H17 AB5C17D17 -161.7 7.23 -10.01 -0.72 0
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393973 135022076 1 NOC19H21 ABC19D21 20.18 3.86 -9.02 0.11 0
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393975 135022078 1 O3C10H16 A3B10C16 -141.43 5.04 -10.33 -0.28 0
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393976 135022079 1 N2O4H22C31 A2B4C22D31 594.86 40.74 -5.88 -3.81 0
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393977 135022080 2 N2O2C19H22 A2B2C19D22 224.26 13.95 -7.07 -2.77 0
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393978 135022081 1 ClNOSH12C17 ABCDE12F17 53.55 4.22 -8.54 -0.52 0
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393979 135022082 1 S2C25H26 A2B25C26 56.73 3.68 -8.32 -0.18 0
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393980 135022083 1 SiO3C22H42 AB3C22D42 -214.92 2.8 -8.86 0.19 0
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393981 135022084 1 O3C19H20 A3B19C20 -67.31 2.67 -8.23 -0.26 0
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393983 135022086 1 NO3C16H21 AB3C16D21 -33.03 4.7 -9.11 -0.25 0
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393984 135022087 1 NO3C16H21 AB3C16D21 -112.11 7.37 -10.38 0.15 0
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393985 135022088 1 NO5C17H27 AB5C17D27 -229.16 6.22 -9.85 0.88 0
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393986 135022089 1 O10C15H26 A10B15C26 -360.19 5.42 -9.94 -0.37 0