List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
91751 |
49978720 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-258.67 |
10.59 |
-8.84 |
-0.87 |
0 |
|
|
91752 |
49978809 |
1 |
N6O6C37H50 |
A6B6C37D50 |
-254.72 |
7.27 |
-8.93 |
-0.47 |
0 |
|
|
91753 |
49978810 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-259.81 |
10.89 |
-8.75 |
-0.48 |
0 |
|
|
91755 |
49978815 |
1 |
ClN6O6C38H45 |
AB6C6D38E45 |
-221.36 |
6.37 |
-8.67 |
-0.92 |
0 |
|
|
91756 |
49978816 |
1 |
N6O7C32H42 |
A6B7C32D42 |
-269.63 |
4.1 |
-8.95 |
-0.54 |
0 |
|
|
91757 |
49978817 |
1 |
N6O7C34H46 |
A6B7C34D46 |
-263.83 |
9.63 |
-8.98 |
-0.43 |
0 |
|
|
91758 |
49978856 |
1 |
N6O7C37H50 |
A6B7C37D50 |
-283.98 |
11.41 |
-8.84 |
-0.29 |
0 |
|
|
91759 |
49978882 |
1 |
FO5N6C33H43 |
AB5C6D33E43 |
-256.23 |
7.08 |
-8.94 |
-0.46 |
0 |
|
|
91760 |
49978883 |
1 |
FO5N6C32H41 |
AB5C6D32E41 |
-257.0 |
6.1 |
-8.79 |
-0.36 |
0 |
|
|
91761 |
49978884 |
1 |
FO5N6C31H39 |
AB5C6D31E39 |
-247.51 |
8.55 |
-8.63 |
-0.33 |
0 |
|
|
91762 |
49978885 |
1 |
FO5N6C34H45 |
AB5C6D34E45 |
-264.77 |
11.34 |
-8.71 |
-0.8 |
0 |
|
|
91763 |
49978889 |
1 |
F2O5N6C36H40 |
A2B5C6D36E40 |
-261.93 |
6.95 |
-8.64 |
-0.56 |
0 |
|
|
91764 |
49978890 |
1 |
Cl2O4N5C30H37 |
A2B4C5D30E37 |
-175.87 |
11.77 |
-8.74 |
-0.98 |
0 |
|
|
91765 |
49978900 |
1 |
FN6O6C37H43 |
AB6C6D37E43 |
-255.15 |
8.03 |
-8.94 |
-0.41 |
0 |
|
|
91767 |
49978970 |
1 |
F2O4N5C30H37 |
A2B4C5D30E37 |
-248.62 |
3.72 |
-9.14 |
-0.76 |
0 |
|
|
91768 |
49978971 |
1 |
SO4N5C31H41 |
AB4C5D31E41 |
-165.3 |
9.14 |
-8.4 |
-0.3 |
0 |
|
|
91769 |
49978980 |
1 |
O5N6C37H44 |
A5B6C37D44 |
-181.27 |
4.44 |
-8.37 |
-0.39 |
0 |
|
|
91770 |
49978999 |
1 |
FO5N6C37H43 |
AB5C6D37E43 |
-223.76 |
3.77 |
-8.6 |
-0.77 |
0 |
|
|
91771 |
49979001 |
1 |
O5N6C38H46 |
A5B6C38D46 |
-189.43 |
8.83 |
-8.52 |
-0.42 |
0 |
|
|
91772 |
49979003 |
1 |
O5N6C38H46 |
A5B6C38D46 |
-192.8 |
6.54 |
-8.3 |
-0.31 |
0 |
|
|
91773 |
49979006 |
1 |
Cl2O4N5C30H37 |
A2B4C5D30E37 |
-177.1 |
2.76 |
-8.98 |
-0.55 |
0 |
|
|
91774 |
49979011 |
2 |
N3O3C19H23 |
A3B3C19D23 |
-218.14 |
6.12 |
-8.44 |
-0.44 |
0 |
|
|
91775 |
49979012 |
1 |
ClO5N6C37H43 |
AB5C6D37E43 |
-181.93 |
9.88 |
-8.56 |
-0.76 |
0 |
|
|
91776 |
49979013 |
1 |
O5N6C34H46 |
A5B6C34D46 |
-217.07 |
11.37 |
-8.58 |
-0.34 |
0 |
|
|
91777 |
49979016 |
1 |
O5N6C32H42 |
A5B6C32D42 |
-212.39 |
5.86 |
-8.28 |
-0.2 |
0 |
|
|
91778 |
49979023 |
1 |
ClN5O5C31H40 |
AB5C5D31E40 |
-208.17 |
8.82 |
-8.63 |
-0.67 |
0 |
|
|
91779 |
49979055 |
2 |
N3O3C19H23 |
A3B3C19D23 |
-221.75 |
9.79 |
-8.41 |
-0.47 |
0 |
|
|
91780 |
49979058 |
1 |
BrO4N5C30H38 |
AB4C5D30E38 |
-160.26 |
8.46 |
-8.99 |
-0.48 |
0 |
|
|
91781 |
49979060 |
1 |
F3O4N5C30H36 |
A3B4C5D30E36 |
-293.55 |
4.28 |
-8.98 |
-0.72 |
0 |
|
|
91782 |
49979061 |
1 |
F3O4N5C31H38 |
A3B4C5D31E38 |
-319.87 |
12.2 |
-8.97 |
-0.71 |
0 |
|
|
91783 |
49979062 |
1 |
ClF3O4N5C31H37 |
AB3C4D5E31F37 |
-331.98 |
11.15 |
-8.76 |
-0.97 |
0 |
|
|
91784 |
49979066 |
1 |
FN6O6C37H43 |
AB6C6D37E43 |
-249.82 |
1.84 |
-8.38 |
-0.62 |
0 |
|
|
91785 |
49979067 |
1 |
FN6O6C37H43 |
AB6C6D37E43 |
-257.67 |
10.37 |
-8.33 |
-0.66 |
0 |
|
|
91786 |
49979068 |
2 |
N3O3C17H23 |
A3B3C17D23 |
-255.93 |
9.54 |
-8.16 |
-0.2 |
0 |
|
|
91787 |
49979069 |
1 |
N6O6C33H44 |
A6B6C33D44 |
-251.73 |
2.21 |
-8.62 |
-0.51 |
0 |
|
|
91788 |
49979108 |
1 |
O5N6C38H46 |
A5B6C38D46 |
-190.96 |
4.51 |
-8.73 |
-0.41 |
0 |
|
|
91789 |
49979117 |
1 |
O4N5C31H41 |
A4B5C31D41 |
-168.46 |
5.42 |
-8.64 |
-0.28 |
0 |
|
|
91790 |
49979122 |
1 |
O5N6C37H50 |
A5B6C37D50 |
-224.53 |
6.88 |
-9.07 |
-0.34 |
0 |
|
|
91791 |
49979134 |
1 |
FO5N6C36H41 |
AB5C6D36E41 |
-210.96 |
10.23 |
-8.7 |
-0.76 |
0 |
|
|
91792 |
49979191 |
1 |
F2N6O6C39H44 |
A2B6C6D39E44 |
-288.13 |
8.63 |
-8.79 |
-1.15 |
0 |
|
|
91794 |
49979208 |
2 |
N3O3C17H22 |
A3B3C17D22 |
-219.03 |
4.75 |
-8.92 |
-0.61 |
0 |
|
|
91795 |
49979212 |
1 |
N6O7C41H50 |
A6B7C41D50 |
-251.31 |
9.7 |
-8.03 |
-0.17 |
0 |
|
|
91796 |
49979213 |
1 |
N6O7C41H50 |
A6B7C41D50 |
-243.05 |
5.69 |
-8.69 |
-0.36 |
0 |
|
|
91797 |
49979220 |
1 |
N6O7C35H46 |
A6B7C35D46 |
-276.7 |
6.67 |
-8.12 |
-0.16 |
0 |
|
|
91799 |
49979229 |
1 |
N6O6C35H46 |
A6B6C35D46 |
-226.44 |
14.32 |
-8.91 |
-0.62 |
0 |
|
|
91800 |
49979230 |
6 |
NOC6H8 |
ABC6D8 |
-240.08 |
6.19 |
-9.0 |
-0.55 |
0 |
|
|
91801 |
49979231 |
1 |
N6O6C39H52 |
A6B6C39D52 |
-244.54 |
12.31 |
-8.93 |
-0.28 |
0 |
|
|
91802 |
49979235 |
1 |
F2N6O6C39H44 |
A2B6C6D39E44 |
-289.02 |
6.2 |
-8.99 |
-0.99 |
0 |
|
|
91803 |
49979256 |
1 |
N6O7C35H46 |
A6B7C35D46 |
-272.01 |
11.02 |
-8.74 |
-0.26 |
0 |
|
|
91804 |
49979266 |
2 |
N3O3C17H22 |
A3B3C17D22 |
-231.03 |
10.66 |
-9.05 |
-0.41 |
0 |
|
|
91805 |
49979268 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-252.06 |
7.02 |
-8.95 |
-0.83 |
0 |
|
|
91806 |
49979269 |
1 |
F2N6O6C39H44 |
A2B6C6D39E44 |
-293.35 |
9.16 |
-9.05 |
-0.59 |
0 |
|
|
91807 |
49979291 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-246.75 |
9.44 |
-8.49 |
-0.52 |
0 |
|
|
91808 |
49979301 |
2 |
N3O3C20H24 |
A3B3C20D24 |
-203.27 |
13.39 |
-8.62 |
-0.64 |
0 |
|
|
91809 |
49979302 |
1 |
FN6O6C39H45 |
AB6C6D39E45 |
-251.65 |
7.85 |
-9.0 |
-0.82 |
0 |
|
|
91810 |
49979304 |
1 |
FN6O6C39H45 |
AB6C6D39E45 |
-243.6 |
3.32 |
-8.88 |
-0.66 |
0 |
|
|
91811 |
49979305 |
1 |
ClN6O7C37H47 |
AB6C7D37E47 |
-276.73 |
7.4 |
-9.25 |
-0.68 |
0 |
|
|
91812 |
49979319 |
1 |
ClN6O6C40H47 |
AB6C6D40E47 |
-215.71 |
13.4 |
-8.59 |
-0.96 |
0 |
|
|
91814 |
49979322 |
1 |
ClN6O6C40H47 |
AB6C6D40E47 |
-207.92 |
6.87 |
-8.76 |
-0.8 |
0 |
|
|
91815 |
49979325 |
1 |
FN6O6C41H49 |
AB6C6D41E49 |
-262.07 |
11.37 |
-8.73 |
-0.21 |
0 |
|
|
91816 |
49979326 |
2 |
N3O3C20H27 |
A3B3C20D27 |
-260.46 |
4.08 |
-8.46 |
-0.09 |
0 |
|
|
91817 |
49979332 |
6 |
NOC6H8 |
ABC6D8 |
-238.0 |
5.41 |
-8.91 |
-0.26 |
0 |
|
|
91818 |
49979348 |
1 |
N6O7C39H52 |
A6B7C39D52 |
-283.59 |
9.46 |
-8.75 |
-0.34 |
0 |
|
|
91819 |
49979349 |
1 |
N6O7C40H54 |
A6B7C40D54 |
-290.51 |
8.96 |
-8.79 |
-0.29 |
0 |
|
|
91820 |
49979359 |
1 |
F2N6O6C39H44 |
A2B6C6D39E44 |
-293.14 |
6.49 |
-8.76 |
-0.8 |
0 |
|
|
91821 |
49979374 |
2 |
FN3O3C20H23 |
AB3C3D20E23 |
-298.47 |
12.71 |
-8.88 |
-0.35 |
0 |
|
|
91822 |
49979375 |
1 |
FN6O6C41H49 |
AB6C6D41E49 |
-269.0 |
3.08 |
-8.82 |
-0.55 |
0 |
|
|
91823 |
49979380 |
1 |
FN6O7C40H47 |
AB6C7D40E47 |
-286.25 |
14.97 |
-8.82 |
-0.81 |
0 |
|
|
91826 |
49979389 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-247.83 |
7.16 |
-8.98 |
-0.32 |
0 |
|
|
91827 |
49979391 |
2 |
FN3O3C20H23 |
AB3C3D20E23 |
-298.46 |
8.74 |
-8.91 |
-0.41 |
0 |
|
|
91828 |
49979410 |
2 |
FN3O3C20H24 |
AB3C3D20E24 |
-312.21 |
6.87 |
-8.91 |
-0.5 |
0 |
|
|
91829 |
49979411 |
1 |
FN6O6C39H53 |
AB6C6D39E53 |
-309.74 |
7.47 |
-8.68 |
-0.35 |
0 |
|
|
91830 |
49979412 |
1 |
ClN6O6C40H49 |
AB6C6D40E49 |
-233.32 |
5.55 |
-8.83 |
-0.45 |
0 |
|
|
91831 |
49979413 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-257.83 |
10.59 |
-8.73 |
-0.49 |
0 |
|
|
91832 |
49979414 |
1 |
FN6O6C41H49 |
AB6C6D41E49 |
-267.46 |
4.53 |
-8.65 |
-0.35 |
0 |
|
|
91833 |
49979422 |
1 |
N6O6C37H50 |
A6B6C37D50 |
-255.42 |
2.67 |
-8.88 |
-0.34 |
0 |
|
|
91834 |
49979445 |
1 |
ClN6O6C40H47 |
AB6C6D40E47 |
-216.15 |
11.03 |
-8.97 |
-0.58 |
0 |
|
|
91835 |
49979446 |
1 |
ClN6O6C39H45 |
AB6C6D39E45 |
-206.74 |
11.15 |
-8.65 |
-0.71 |
0 |
|
|
91836 |
49979451 |
1 |
ClN6O6C36H49 |
AB6C6D36E49 |
-265.77 |
5.34 |
-8.85 |
-0.44 |
0 |
|
|
91837 |
49979481 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-256.3 |
8.32 |
-8.92 |
-0.61 |
0 |
|
|
91838 |
49979496 |
1 |
ClN6O6C35H47 |
AB6C6D35E47 |
-263.25 |
11.69 |
-8.88 |
-0.44 |
0 |
|
|
91839 |
49979501 |
1 |
ClN6O6C40H49 |
AB6C6D40E49 |
-235.82 |
6.06 |
-8.64 |
-0.58 |
0 |
|
|
91840 |
49979524 |
1 |
ClN6O6C35H45 |
AB6C6D35E45 |
-237.07 |
8.19 |
-8.7 |
-0.68 |
0 |
|
|
91841 |
49979531 |
1 |
ClN6O6C40H47 |
AB6C6D40E47 |
-210.56 |
8.07 |
-8.73 |
-0.46 |
0 |
|
|
91842 |
49979535 |
1 |
ClN6O6C35H45 |
AB6C6D35E45 |
-252.27 |
1.94 |
-8.41 |
-0.45 |
0 |
|
|
91844 |
49979554 |
1 |
N6O6C37H50 |
A6B6C37D50 |
-254.49 |
10.49 |
-8.85 |
-0.26 |
0 |
|
|
91845 |
49979557 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-254.48 |
5.13 |
-8.81 |
-0.23 |
0 |
|
|
91846 |
49979570 |
1 |
ClN6O6C37H49 |
AB6C6D37E49 |
-247.42 |
6.69 |
-8.83 |
-0.88 |
0 |
|
|
91847 |
49979581 |
1 |
Cl2N5O5C32H39 |
A2B5C5D32E39 |
-203.54 |
10.93 |
-8.89 |
-0.62 |
0 |
|
|
91848 |
49979603 |
1 |
ClN6O6C37H49 |
AB6C6D37E49 |
-249.94 |
4.16 |
-9.22 |
-0.75 |
0 |
|
|
91849 |
49979612 |
1 |
N5O5C33H43 |
A5B5C33D43 |
-194.36 |
4.53 |
-8.7 |
-0.22 |
0 |
|
|
91850 |
49979615 |
1 |
N5O5C34H45 |
A5B5C34D45 |
-202.98 |
2.65 |
-8.67 |
-0.35 |
0 |
|
|
91851 |
49979620 |
1 |
N5O5C35H47 |
A5B5C35D47 |
-205.24 |
7.56 |
-8.6 |
-0.26 |
0 |
|
|
91852 |
49979621 |
1 |
N5O5C33H43 |
A5B5C33D43 |
-193.6 |
7.64 |
-8.6 |
-0.18 |
0 |
|
|
91853 |
49979632 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-253.56 |
6.51 |
-8.94 |
-0.45 |
0 |
|
|
91855 |
49979676 |
1 |
N6O7C40H48 |
A6B7C40D48 |
-241.25 |
6.25 |
-8.12 |
-0.52 |
0 |
|
|
91856 |
49979683 |
1 |
N6O6C39H52 |
A6B6C39D52 |
-256.71 |
11.22 |
-7.8 |
-0.48 |
0 |
|
|
91857 |
49979685 |
1 |
FN6O6C40H47 |
AB6C6D40E47 |
-251.15 |
5.89 |
-8.27 |
-0.58 |
0 |
|
|
91858 |
49979690 |
1 |
N5O5C34H45 |
A5B5C34D45 |
-208.4 |
3.66 |
-8.44 |
-0.29 |
0 |
|
|
91859 |
49979691 |
1 |
ClFN5O5C32H39 |
ABC5D5E32F39 |
-242.92 |
5.93 |
-8.99 |
-0.47 |
0 |