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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422844 |
135118504 |
1 |
O3N6C22H30 |
A3B6C22D30 |
-18.0 |
10.67 |
-8.85 |
-0.18 |
0 |
|
|
422845 |
135118506 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-7.25 |
3.02 |
-8.65 |
-0.19 |
0 |
|
|
422846 |
135118507 |
2 |
ON3C10H13 |
AB3C10D13 |
-16.76 |
2.59 |
-8.83 |
-0.28 |
0 |
|
|
422847 |
135118508 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-43.16 |
6.66 |
-9.38 |
-0.76 |
0 |
|
|
422848 |
135118509 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
-12.45 |
1.47 |
-9.21 |
-0.67 |
0 |
|
|
422849 |
135118510 |
1 |
ClN2O2C15H19 |
AB2C2D15E19 |
-81.57 |
3.7 |
-9.45 |
-0.88 |
0 |
|
|
422850 |
135118512 |
1 |
ON6C20H30 |
AB6C20D30 |
33.6 |
1.12 |
-8.43 |
-0.18 |
0 |
|
|
422851 |
135118513 |
1 |
NO7C17H19 |
AB7C17D19 |
-249.86 |
5.03 |
-9.07 |
-0.29 |
0 |
|
|
422852 |
135118514 |
1 |
S2O6N7C37H47 |
A2B6C7D37E47 |
-179.47 |
4.63 |
-8.64 |
-0.9 |
0 |
|
|
422853 |
135118516 |
1 |
FOSN5C23H26 |
ABCD5E23F26 |
1.89 |
2.14 |
-9.26 |
-0.69 |
0 |
|
|
422855 |
135118519 |
1 |
ClN2O2H21C22 |
AB2C2D21E22 |
-34.53 |
4.93 |
-9.12 |
-0.74 |
0 |
|
|
422856 |
135118521 |
1 |
OF3N4C16H19 |
AB3C4D16E19 |
-145.06 |
6.21 |
-9.15 |
-0.96 |
0 |
|
|
422857 |
135118523 |
1 |
F3O4N6C33H39 |
A3B4C6D33E39 |
-297.26 |
6.45 |
-8.65 |
-1.46 |
0 |
|
|
422858 |
135118527 |
1 |
SN5C18H21 |
AB5C18D21 |
86.77 |
1.04 |
-8.52 |
-0.58 |
0 |
|
|
422859 |
135118528 |
2 |
N3O3C13H17 |
A3B3C13D17 |
-130.12 |
7.92 |
-8.92 |
-1.11 |
0 |
|
|
422860 |
135118530 |
1 |
FON4C20H27 |
ABC4D20E27 |
-39.55 |
2.76 |
-8.84 |
-0.47 |
0 |
|
|
422861 |
135118531 |
1 |
O5N6C29H38 |
A5B6C29D38 |
-155.44 |
5.66 |
-8.71 |
-0.28 |
0 |
|
|
422862 |
135118532 |
2 |
N3C8H11 |
A3B8C11 |
65.55 |
2.47 |
-8.79 |
-0.17 |
0 |
|
|
422863 |
135118534 |
2 |
ON3C10H15 |
AB3C10D15 |
-38.72 |
2.89 |
-9.17 |
0.38 |
0 |
|
|
422864 |
135118535 |
1 |
FN2O3C20H27 |
AB2C3D20E27 |
-183.82 |
4.13 |
-9.13 |
-0.16 |
0 |
|
|
422865 |
135118536 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-47.23 |
3.99 |
-9.25 |
-0.31 |
0 |
|
|
422866 |
135118537 |
1 |
OF3N3C20H24 |
AB3C3D20E24 |
-161.5 |
6.0 |
-9.12 |
-1.17 |
0 |
|
|
422867 |
135118538 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-201.8 |
9.69 |
-9.37 |
-0.44 |
0 |
|
|
422868 |
135118539 |
1 |
N2O5C16H18 |
A2B5C16D18 |
-130.53 |
5.22 |
-9.09 |
-1.2 |
0 |
|
|
422869 |
135118541 |
1 |
ClO2N3C17H22 |
AB2C3D17E22 |
-58.66 |
8.25 |
-8.93 |
-0.71 |
0 |
|
|
422870 |
135118542 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-73.84 |
6.24 |
-8.94 |
-0.28 |
0 |
|
|
422871 |
135118543 |
1 |
ClO2N3C17H20 |
AB2C3D17E20 |
-75.06 |
4.88 |
-8.75 |
-0.42 |
0 |
|
|
422872 |
135118544 |
1 |
ON6C20H24 |
AB6C20D24 |
31.36 |
3.54 |
-8.25 |
-0.87 |
0 |
|
|
422873 |
135118545 |
1 |
ClN2O4C19H25 |
AB2C4D19E25 |
-161.72 |
3.16 |
-9.05 |
-0.3 |
0 |
|
|
422875 |
135118547 |
1 |
O4N6C29H36 |
A4B6C29D36 |
-43.82 |
3.19 |
-8.54 |
-0.56 |
0 |
|
|
422876 |
135118551 |
1 |
N5C22H25 |
A5B22C25 |
95.26 |
2.66 |
-9.02 |
-0.83 |
0 |
|
|
422878 |
135118553 |
1 |
SF2N4O4C12H18 |
AB2C4D4E12F18 |
-218.19 |
6.24 |
-9.8 |
-0.3 |
0 |
|
|
422879 |
135118554 |
1 |
ClN2O3C20H29 |
AB2C3D20E29 |
-142.55 |
7.03 |
-8.41 |
0.02 |
0 |
|
|
422880 |
135118557 |
1 |
NO4C18H27 |
AB4C18D27 |
-179.66 |
6.92 |
-8.8 |
0.23 |
0 |
|
|
422881 |
135118558 |
1 |
N5O6C32H43 |
A5B6C32D43 |
-220.49 |
7.7 |
-9.44 |
-0.32 |
0 |
|
|
422882 |
135118559 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-45.03 |
7.3 |
-8.78 |
-0.03 |
0 |
|
|
422883 |
135118562 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-169.43 |
2.54 |
-8.91 |
0.1 |
0 |
|
|
422884 |
135118565 |
1 |
ON3C17H23 |
AB3C17D23 |
-26.57 |
2.11 |
-9.03 |
0.05 |
0 |
|
|
422885 |
135118566 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-72.53 |
5.33 |
-8.09 |
-0.11 |
0 |
|
|
422886 |
135118568 |
1 |
SN5O6C35H45 |
AB5C6D35E45 |
-238.07 |
6.88 |
-8.28 |
-0.75 |
0 |
|
|
422887 |
135118570 |
2 |
NOC10H14 |
ABC10D14 |
-57.98 |
2.66 |
-8.77 |
-0.17 |
0 |
|
|
422888 |
135118571 |
1 |
ClN2O3C18H25 |
AB2C3D18E25 |
-147.3 |
5.15 |
-9.07 |
-0.45 |
0 |
|
|
422889 |
135118572 |
1 |
ON7C18H25 |
AB7C18D25 |
56.74 |
2.83 |
-9.68 |
-0.96 |
0 |
|
|
422890 |
135118573 |
1 |
O2N3C22H23 |
A2B3C22D23 |
5.71 |
6.64 |
-9.3 |
-0.32 |
0 |
|
|
422891 |
135118574 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-59.23 |
5.58 |
-8.84 |
-0.5 |
0 |
|
|
422892 |
135118575 |
1 |
ClSO2N4C20H25 |
ABC2D4E20F25 |
-45.72 |
2.9 |
-8.54 |
-0.74 |
0 |
|
|
422893 |
135118576 |
1 |
ON4C21H24 |
AB4C21D24 |
32.63 |
0.48 |
-8.81 |
-0.74 |
0 |
|
|
422894 |
135118577 |
1 |
ON3C17H29 |
AB3C17D29 |
-42.24 |
4.27 |
-9.01 |
0.77 |
0 |
|
|
422895 |
135118578 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-106.26 |
5.55 |
-8.04 |
0.16 |
0 |
|
|
422896 |
135118579 |
1 |
FON6C11H15 |
ABC6D11E15 |
17.71 |
4.49 |
-8.85 |
-0.51 |
0 |
|
|
422897 |
135118583 |
1 |
FNO2C19H26 |
ABC2D19E26 |
-140.72 |
6.07 |
-8.97 |
0.08 |
0 |
|
|
422898 |
135118584 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-77.12 |
3.76 |
-9.34 |
-0.95 |
0 |
|
|
422899 |
135118585 |
1 |
ON5C19H27 |
AB5C19D27 |
26.35 |
3.36 |
-8.46 |
-0.17 |
0 |
|
|
422900 |
135118586 |
1 |
O2N6C17H20 |
A2B6C17D20 |
30.09 |
5.99 |
-9.06 |
-1.42 |
0 |
|
|
422901 |
135118587 |
1 |
NF4O4H13C15 |
AB4C4D13E15 |
-324.01 |
7.49 |
-9.99 |
-1.03 |
0 |
|
|
422902 |
135118589 |
1 |
O3N4C12H20 |
A3B4C12D20 |
-131.47 |
4.95 |
-9.55 |
0.25 |
0 |
|
|
422903 |
135118591 |
1 |
ClO3N4C18H19 |
AB3C4D18E19 |
-38.97 |
0.88 |
-9.45 |
-1.08 |
0 |
|
|
422904 |
135118592 |
1 |
NF3O3C16H20 |
AB3C3D16E20 |
-266.49 |
3.5 |
-9.2 |
-0.63 |
0 |
|
|
422905 |
135118594 |
1 |
FNO4C21H24 |
ABC4D21E24 |
-181.89 |
1.58 |
-9.06 |
-0.21 |
0 |
|
|
422906 |
135118595 |
1 |
FNSO5C16H22 |
ABCD5E16F22 |
-269.25 |
5.12 |
-9.81 |
-1.01 |
0 |
|
|
422907 |
135118596 |
1 |
F2N3O3C14H15 |
A2B3C3D14E15 |
-167.71 |
7.08 |
-9.48 |
-0.61 |
0 |
|
|
422909 |
135118598 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-112.65 |
5.66 |
-9.11 |
-0.76 |
0 |
|
|
422910 |
135118601 |
1 |
FNSO5C15H20 |
ABCD5E15F20 |
-251.76 |
3.1 |
-10.36 |
-1.25 |
0 |
|
|
422911 |
135118603 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-138.93 |
7.13 |
-8.89 |
-0.32 |
0 |
|
|
422912 |
135118604 |
1 |
NO4C19H29 |
AB4C19D29 |
-186.3 |
6.16 |
-8.64 |
0.18 |
0 |
|
|
422913 |
135118605 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-31.99 |
2.59 |
-8.36 |
0.21 |
0 |
|
|
422914 |
135118606 |
1 |
ClNO3C21H22 |
ABC3D21E22 |
-96.38 |
5.29 |
-9.02 |
-0.43 |
0 |
|
|
422915 |
135118608 |
1 |
NO4C21H25 |
AB4C21D25 |
-126.1 |
5.53 |
-9.12 |
-0.22 |
0 |
|
|
422916 |
135118610 |
1 |
NO2C24H31 |
AB2C24D31 |
-51.63 |
0.89 |
-8.43 |
0.19 |
0 |
|
|
422917 |
135118611 |
1 |
ClN2O4C25H27 |
AB2C4D25E27 |
-143.64 |
3.56 |
-8.72 |
-0.64 |
0 |
|
|
422918 |
135118612 |
1 |
SF2N2O2C18H18 |
AB2C2D2E18F18 |
-134.07 |
5.15 |
-9.06 |
-0.39 |
0 |
|
|
422919 |
135118616 |
1 |
SN3O4C16H23 |
AB3C4D16E23 |
-150.39 |
4.74 |
-9.02 |
-0.21 |
0 |
|
|
422920 |
135118617 |
1 |
FO2N3C20H20 |
AB2C3D20E20 |
-55.75 |
4.08 |
-9.26 |
-0.67 |
0 |
|
|
422921 |
135118619 |
1 |
SN2O5C17H22 |
AB2C5D17E22 |
-183.24 |
6.81 |
-9.89 |
-0.74 |
0 |
|
|
422922 |
135118620 |
1 |
FNO2C17H22 |
ABC2D17E22 |
-125.42 |
2.97 |
-9.24 |
-0.4 |
0 |
|
|
422923 |
135118621 |
1 |
OSN6C16H18 |
ABC6D16E18 |
80.09 |
6.29 |
-9.54 |
-0.75 |
0 |
|
|
422924 |
135118622 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-103.67 |
3.19 |
-8.88 |
-0.04 |
0 |
|
|
422925 |
135118623 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-26.78 |
2.54 |
-8.39 |
-0.53 |
0 |
|
|
422926 |
135118624 |
2 |
NO2C10H15 |
AB2C10D15 |
-163.99 |
5.98 |
-8.75 |
0.04 |
0 |
|
|
422927 |
135118625 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-147.14 |
2.11 |
-9.07 |
-0.34 |
0 |
|
|
422928 |
135118628 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-166.75 |
5.6 |
-8.93 |
0.11 |
0 |
|
|
422929 |
135118637 |
2 |
ON2C10H13 |
AB2C10D13 |
-47.53 |
5.81 |
-9.3 |
-0.08 |
0 |
|
|
422930 |
135118638 |
1 |
O2N5C23H25 |
A2B5C23D25 |
31.75 |
5.72 |
-7.93 |
-0.88 |
0 |
|
|
422931 |
135118640 |
1 |
NO4C13H19 |
AB4C13D19 |
-158.75 |
2.49 |
-9.12 |
0.09 |
0 |
|
|
422932 |
135118644 |
1 |
ON3C18H27 |
AB3C18D27 |
-34.57 |
3.3 |
-8.96 |
0.11 |
0 |
|
|
422933 |
135118645 |
1 |
SO2N7C21H25 |
AB2C7D21E25 |
48.99 |
6.71 |
-9.52 |
-0.88 |
0 |
|
|
422934 |
135118646 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-126.55 |
6.8 |
-8.87 |
-0.97 |
0 |
|
|
422936 |
135118652 |
1 |
ClSN4O4C12H19 |
ABC4D4E12F19 |
-134.31 |
4.46 |
-9.74 |
-0.57 |
0 |
|
|
422937 |
135118653 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-69.68 |
8.63 |
-9.15 |
-0.99 |
0 |
|
|
422938 |
135118654 |
1 |
N5C18H21 |
A5B18C21 |
74.24 |
2.2 |
-9.22 |
-0.75 |
0 |
|
|
422939 |
135118655 |
1 |
ON2S2C18H18 |
AB2C2D18E18 |
25.48 |
3.0 |
-8.47 |
-0.33 |
0 |
|
|
422940 |
135118656 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-15.38 |
4.21 |
-8.78 |
-0.09 |
0 |
|
|
422941 |
135118659 |
2 |
O3N4C18H23 |
A3B4C18D23 |
-183.87 |
13.34 |
-9.19 |
-0.17 |
0 |
|
|
422942 |
135118660 |
1 |
ClN2O4C20H27 |
AB2C4D20E27 |
-194.38 |
6.77 |
-9.55 |
-0.5 |
0 |
|
|
422943 |
135118661 |
1 |
ON6C23H24 |
AB6C23D24 |
50.7 |
5.11 |
-8.67 |
-0.59 |
0 |
|
|
422944 |
135118662 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-74.81 |
2.82 |
-8.75 |
-0.68 |
0 |
|
|
422945 |
135118663 |
1 |
ON4C22H28 |
AB4C22D28 |
-7.66 |
1.41 |
-9.1 |
-0.82 |
0 |
|
|
422946 |
135118664 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-111.0 |
8.41 |
-9.33 |
-0.82 |
0 |
|
|
422947 |
135118666 |
1 |
ClN2O3C15H19 |
AB2C3D15E19 |
-137.16 |
5.86 |
-9.33 |
-0.94 |
0 |
|
|
422948 |
135118667 |
1 |
OSN3C13H17 |
ABC3D13E17 |
-2.83 |
2.3 |
-9.15 |
-0.38 |
0 |