List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
112943 50426834 2 N3O3C18H25 A3B3C18D25 -257.11 5.98 -8.99 -0.39 0
112944 50426911 1 O5N6C36H50 A5B6C36D50 -220.36 6.09 -8.88 -0.39 0
112945 50426912 2 N3O3C17H23 A3B3C17D23 -243.09 8.08 -8.79 -0.34 0
112946 50427064 1 ClF2O5N6C39H39 AB2C5D6E39F39 -235.57 7.48 -8.94 -0.66 0
112947 50427070 1 F3O5N6C40H41 A3B5C6D40E41 -290.61 7.62 -8.78 -0.71 0
112948 50427076 1 F2O5N6C37H44 A2B5C6D37E44 -274.74 8.48 -8.99 -0.67 0
112949 50427178 1 FO5N6C42H45 AB5C6D42E45 -185.58 4.7 -8.76 -0.69 0
112950 50427197 1 ClF2O5N6C34H37 AB2C5D6E34F37 -261.26 7.75 -9.02 -0.58 0
112951 50427298 1 F2N5O5C38H39 A2B5C5D38E39 -227.72 10.89 -8.74 -0.65 0
112952 50427369 1 O5N6C39H48 A5B6C39D48 -185.18 7.46 -8.86 -0.38 0
112953 50427372 1 ClO5N6C39H47 AB5C6D39E47 -181.98 3.65 -8.84 -0.71 0
112954 50427404 1 ClFO5N6C38H38 ABC5D6E38F38 -191.14 7.16 -8.73 -0.8 0
112955 50427432 1 ClFO4N5C35H41 ABC4D5E35F41 -202.08 3.52 -8.82 -0.74 0
112956 50427433 1 ClFO4N5C32H35 ABC4D5E32F35 -177.04 7.39 -8.9 -0.62 0
112957 50427434 1 ClFO4N5C35H41 ABC4D5E35F41 -190.88 6.16 -9.11 -0.68 0
112958 50427435 1 ClFO4N5C37H37 ABC4D5E37F37 -148.73 9.28 -8.91 -0.99 0
112959 50427436 1 ClFO4N5C38H39 ABC4D5E38F39 -160.79 7.2 -8.71 -0.96 0
112960 50427437 1 FO4N5C35H42 AB4C5D35E42 -193.85 6.51 -8.75 -0.68 0
112961 50427438 1 FO4N5C35H40 AB4C5D35E40 -176.32 6.91 -8.8 -0.55 0
112962 50427528 1 FO5N6C38H39 AB5C6D38E39 -182.35 8.6 -8.82 -0.48 0
112963 50427536 1 ClFO5N6C38H38 ABC5D6E38F38 -185.98 7.72 -8.85 -0.67 0
112964 50427557 1 ClFO5N6C37H44 ABC5D6E37F44 -247.84 2.2 -8.99 -0.68 0
112965 50427625 1 F2O5N6C40H48 A2B5C6D40E48 -283.94 3.92 -8.97 -0.64 0
112966 50427729 1 ClFO4N5C31H33 ABC4D5E31F33 -183.64 6.24 -8.96 -1.01 0
112967 50427807 1 N6O6C43H48 A6B6C43D48 -176.78 4.89 -8.18 -0.33 0
112968 50427808 1 N6O6C43H48 A6B6C43D48 -179.13 5.56 -8.1 -0.43 0
112969 50427809 2 N3O3C21H23 A3B3C21D23 -172.27 3.26 -8.35 -0.33 0
112970 50427810 1 FN6O6C42H45 AB6C6D42E45 -221.19 3.99 -8.23 -0.67 0
112971 50427811 1 FN6O6C42H45 AB6C6D42E45 -222.62 6.83 -8.24 -0.69 0
112972 50427812 3 N2O2C13H16 A2B2C13D16 -215.41 9.42 -8.42 -0.19 0
112973 50427813 2 N3O3C19H23 A3B3C19D23 -215.36 5.43 -8.08 -0.3 0
112974 50427814 1 N6O6C37H44 A6B6C37D44 -202.93 8.18 -8.12 -0.46 0
112975 50427815 2 N3O3C20H25 A3B3C20D25 -217.39 2.57 -8.87 -0.53 0
112976 50427816 2 N3O3C21H26 A3B3C21D26 -220.83 6.06 -8.7 -0.63 0
112977 50427817 1 FN6O6C34H39 AB6C6D34E39 -249.42 11.54 -8.48 -0.49 0
112978 50427892 1 F3O5N6H37C38 A3B5C6D37E38 -264.77 9.47 -8.97 -0.76 0
112979 50427893 1 F2O5N6C39H40 A2B5C6D39E40 -237.75 1.27 -8.96 -0.62 0
112980 50427938 1 ClO5N6C41H43 AB5C6D41E43 -142.7 7.49 -8.8 -1.02 0
112981 50427939 1 ClO5N6C42H45 AB5C6D42E45 -155.81 10.69 -8.61 -0.78 0
112982 50427940 6 NOC6H7 ABC6D7 -197.4 9.93 -8.78 -0.37 0
112983 50428167 1 ClF2O5N6C38H43 AB2C5D6E38F43 -273.61 4.3 -8.94 -0.88 0
112984 50428168 1 ClF2O5N6C35H39 AB2C5D6E35F39 -266.1 7.05 -9.08 -0.9 0
112985 50428221 1 FN6O6C42H45 AB6C6D42E45 -214.96 15.15 -8.73 -0.75 0
112986 50428423 1 F2N6O6C37H44 A2B6C6D37E44 -309.52 3.89 -8.8 -0.58 0
112987 50428424 1 F2N6O6C37H42 A2B6C6D37E42 -288.9 11.6 -8.8 -0.51 0
112988 50428453 1 F2O5N6C33H36 A2B5C6D33E36 -256.04 2.8 -8.89 -0.6 0
112989 50428469 1 O5N6C40H48 A5B6C40D48 -170.04 13.31 -8.69 -0.25 0
112990 50428602 1 BrO4N5C34H38 AB4C5D34E38 -119.7 6.97 -8.76 -0.36 0
112991 50428649 1 F2O5N6C40H42 A2B5C6D40E42 -252.0 14.15 -8.91 -0.57 0
112992 50428650 1 F3O5N6C40H41 A3B5C6D40E41 -293.23 11.16 -8.82 -0.73 0
112993 50428651 1 F2O5N6C40H42 A2B5C6D40E42 -247.14 3.2 -8.86 -0.54 0
112994 50428652 1 F2O5N6C41H44 A2B5C6D41E44 -259.62 10.0 -8.68 -0.54 0
112995 50428653 1 FO5N6C34H39 AB5C6D34E39 -225.77 10.29 -8.83 -0.69 0
112996 50428654 1 FO5N6C36H43 AB5C6D36E43 -221.06 4.31 -9.02 -0.54 0
112997 50428655 1 FO5N6C37H45 AB5C6D37E45 -241.44 7.32 -8.86 -0.55 0
112998 50428656 1 FO5N6C40H49 AB5C6D40E49 -239.96 11.65 -8.81 -0.49 0
112999 50428657 1 FO5N6C37H45 AB5C6D37E45 -240.78 7.52 -8.98 -0.41 0
113000 50428724 1 ClO4N5C35H40 AB4C5D35E40 -136.92 7.15 -8.85 -0.43 0
113001 50428725 1 O5N6C36H42 A5B6C36D42 -173.41 2.27 -8.25 -0.34 0
113002 50428726 1 O4N5C37H45 A4B5C37D45 -134.53 6.65 -8.82 -0.24 0
113003 50428727 1 ClO4N5C35H40 AB4C5D35E40 -136.83 7.05 -8.83 -0.41 0
113004 50428728 1 ClO4N5C35H40 AB4C5D35E40 -143.55 4.75 -8.72 -0.38 0
113005 50428748 1 ClO5N6C39H47 AB5C6D39E47 -187.3 9.17 -8.95 -0.89 0
113006 50428846 3 FN2O2C13H13 AB2C2D13E13 -310.16 4.9 -8.76 -0.56 0
113007 50428847 1 F4O5N6H36C38 A4B5C6D36E38 -315.53 8.33 -8.95 -0.8 0
113008 50428943 1 FO4N5C35H42 AB4C5D35E42 -186.48 4.97 -9.11 -0.51 0
113009 50428944 1 FO4N5C32H36 AB4C5D32E36 -169.79 8.79 -8.76 -0.38 0
113010 50428945 1 FO4N5C35H42 AB4C5D35E42 -186.84 7.85 -8.79 -0.42 0
113011 50428946 1 F2O4N5C38H39 A2B4C5D38E39 -195.93 1.88 -8.85 -0.76 0
113012 50428947 1 F3O4N5H36C37 A3B4C5D36E37 -233.09 9.19 -8.89 -0.6 0
113013 50428948 1 F3O4N5H36C37 A3B4C5D36E37 -230.6 8.02 -8.84 -0.46 0
113014 50428949 1 F2O4N5C38H39 A2B4C5D38E39 -198.15 8.72 -8.81 -0.79 0
113015 50428950 1 F2O4N5C38H39 A2B4C5D38E39 -189.81 6.73 -8.82 -0.83 0
113016 50428951 1 F3O4N5H36C37 A3B4C5D36E37 -229.24 6.23 -9.05 -0.74 0
113017 50428952 1 FO4N5C37H38 AB4C5D37E38 -145.28 7.68 -8.68 -0.78 0