List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
54486 |
17388761 |
2 |
O3C12H16 |
A3B12C16 |
-270.72 |
9.29 |
-9.8 |
-0.42 |
0 |
|
|
54487 |
17388762 |
1 |
FO6C23H29 |
AB6C23D29 |
-312.29 |
7.9 |
-9.93 |
-0.58 |
0 |
|
|
54488 |
17388763 |
1 |
FO5C21H27 |
AB5C21D27 |
-261.1 |
5.33 |
-9.95 |
-0.57 |
0 |
|
|
54489 |
17388766 |
2 |
O2N3C9H18 |
A2B3C9D18 |
-3.41 |
20.78 |
-9.58 |
-0.68 |
0 |
|
|
54490 |
17388768 |
1 |
BrSCl2N2O3C15H15 |
ABC2D2E3F15G15 |
-7.04 |
6.9 |
-9.02 |
-1.27 |
0 |
|
|
54491 |
17388769 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-2.47 |
3.89 |
-8.38 |
-1.29 |
0 |
|
|
54492 |
17388770 |
1 |
NaSC3O6H7 |
ABC3D6E7 |
-303.87 |
7.96 |
-9.87 |
0.14 |
0 |
|
|
54493 |
17388772 |
1 |
IN2O3C22H41 |
AB2C3D22E41 |
-137.14 |
13.96 |
-6.36 |
-0.24 |
0 |
|
|
54494 |
17388773 |
1 |
OCl4N4C13H32 |
AB4C4D13E32 |
-188.93 |
2.42 |
-8.17 |
1.54 |
0 |
|
|
54495 |
17388774 |
1 |
ClOS2N3H18C19 |
ABC2D3E18F19 |
45.77 |
7.79 |
-8.46 |
-1.54 |
0 |
|
|
54496 |
17388775 |
1 |
BrON2H19C23 |
ABC2D19E23 |
49.54 |
2.48 |
-8.21 |
-0.85 |
0 |
|
|
54497 |
17388778 |
1 |
FN2O2C11H11 |
AB2C2D11E11 |
-76.15 |
3.49 |
-9.21 |
-0.22 |
0 |
|
|
54498 |
17388779 |
1 |
N2O3H28C30 |
A2B3C28D30 |
-42.62 |
6.08 |
-8.69 |
-0.91 |
0 |
|
|
54499 |
17388780 |
1 |
ClNF2O4H10C15 |
ABC2D4E10F15 |
-202.47 |
3.62 |
-9.04 |
-0.83 |
0 |
|
|
54500 |
17388781 |
1 |
F2N2O2H16C27 |
A2B2C2D16E27 |
-42.49 |
2.28 |
-9.23 |
-1.17 |
0 |
|
|
54501 |
17388784 |
1 |
N2O3C14H14 |
A2B3C14D14 |
-98.01 |
4.58 |
-9.07 |
-0.64 |
0 |
|
|
54502 |
17388785 |
1 |
N3O4C15H15 |
A3B4C15D15 |
-115.54 |
4.87 |
-9.08 |
-0.72 |
0 |
|
|
54503 |
17388787 |
1 |
NNaO4C18H22 |
ABC4D18E22 |
-238.82 |
8.29 |
-7.96 |
-0.48 |
0 |
|
|
54504 |
17388788 |
1 |
ClSN2O4C8H11 |
ABC2D4E8F11 |
-171.88 |
5.78 |
-10.51 |
-1.12 |
0 |
|
|
54505 |
17388789 |
1 |
ClN4C19H21 |
AB4C19D21 |
44.95 |
3.31 |
-8.52 |
-0.88 |
0 |
|
|
54506 |
17388790 |
1 |
NCl2O2C14H21 |
AB2C2D14E21 |
-112.02 |
2.2 |
-8.77 |
-0.11 |
0 |
|
|
54507 |
17388791 |
1 |
S3N6O6C28H48 |
A3B6C6D28E48 |
-212.95 |
3.15 |
-8.6 |
-1.12 |
0 |
|
|
54508 |
17388793 |
1 |
O2N6H14C15 |
A2B6C14D15 |
107.87 |
5.74 |
-8.63 |
-0.94 |
0 |
|
|
54509 |
17388794 |
1 |
ON7C14H19 |
AB7C14D19 |
115.4 |
6.15 |
-8.09 |
-0.73 |
0 |
|
|
54510 |
17388795 |
1 |
N4O6C15H26 |
A4B6C15D26 |
-332.24 |
5.78 |
-9.9 |
0.08 |
0 |
|
|
54511 |
17388797 |
2 |
SN3C9H12 |
AB3C9D12 |
61.29 |
2.58 |
-8.93 |
-0.95 |
0 |
|
|
54513 |
17388800 |
2 |
ON3H7C8 |
AB3C7D8 |
121.96 |
4.03 |
-9.12 |
-1.06 |
0 |
|
|
54514 |
17388801 |
1 |
ClO9H11C18 |
AB9C11D18 |
-89.84 |
23.17 |
-9.8 |
-2.88 |
0 |
|
|
54515 |
17388802 |
1 |
ClNO2C11H24 |
ABC2D11E24 |
-170.76 |
4.05 |
-9.81 |
0.52 |
0 |
|
|
54516 |
17388803 |
1 |
ClNO2C11H24 |
ABC2D11E24 |
-167.96 |
4.26 |
-9.42 |
0.57 |
0 |
|
|
54519 |
17388806 |
1 |
N2S3C19H21 |
A2B3C19D21 |
59.18 |
2.66 |
0.0 |
0.0 |
0 |
|
|
54521 |
17388812 |
1 |
NO5H17C18 |
AB5C17D18 |
-152.39 |
6.42 |
-9.57 |
-1.24 |
0 |
|
|
54522 |
17388814 |
1 |
OSN3H4C7F7 |
ABC3D4E7F7 |
-347.79 |
2.85 |
-10.24 |
-1.9 |
0 |
|
|
54523 |
17388816 |
1 |
SN3O3H19C24 |
AB3C3D19E24 |
-8.63 |
5.23 |
-9.05 |
-1.57 |
0 |
|
|
54524 |
17388818 |
1 |
N2O3C7H8 |
A2B3C7D8 |
-88.4 |
0.84 |
-9.75 |
-0.28 |
0 |
|
|
54525 |
17388819 |
1 |
N2O7H8C15 |
A2B7C8D15 |
-148.26 |
3.68 |
-9.89 |
-2.76 |
0 |
|
|
54526 |
17388826 |
1 |
NSO5C17H23 |
ABC5D17E23 |
-222.14 |
2.28 |
-9.04 |
-0.58 |
0 |
|
|
54527 |
17388829 |
1 |
ClSN2O2H13C16 |
ABC2D2E13F16 |
-22.2 |
4.15 |
-8.84 |
-1.28 |
0 |
|
|
54528 |
17388831 |
1 |
S3O4N5H23C25 |
A3B4C5D23E25 |
-25.15 |
4.0 |
-8.81 |
-1.53 |
0 |
|
|
54529 |
17388833 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-126.57 |
1.77 |
-8.99 |
-1.09 |
0 |
|
|
54530 |
17388841 |
1 |
BrN2O4C22H27 |
AB2C4D22E27 |
-116.29 |
1.89 |
-8.77 |
-1.4 |
0 |
|
|
54531 |
17388842 |
1 |
ClN2O4C25H31 |
AB2C4D25E31 |
-138.65 |
3.33 |
-8.64 |
-1.24 |
0 |
|
|
54532 |
17388843 |
1 |
ClN2O4C25H31 |
AB2C4D25E31 |
-179.33 |
1.57 |
-8.79 |
-0.1 |
0 |
|
|
54533 |
17388844 |
1 |
ClNSC19H20 |
ABCD19E20 |
36.6 |
6.17 |
-8.38 |
-0.47 |
0 |
|
|
54534 |
17388845 |
1 |
SO4N5C19H23 |
AB4C5D19E23 |
-102.79 |
3.8 |
-9.04 |
-0.56 |
0 |
|
|
54535 |
17388847 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-26.83 |
4.12 |
-8.46 |
-0.68 |
0 |
|
|
54536 |
17388850 |
1 |
NCl2F3O3H10C18 |
AB2C3D3E10F18 |
-201.18 |
4.17 |
-9.43 |
-1.12 |
0 |
|
|
54537 |
17388851 |
1 |
Cl2N2O3H14C20 |
A2B2C3D14E20 |
-34.23 |
10.36 |
-9.11 |
-1.4 |
0 |
|
|
54538 |
17388853 |
1 |
OSN5H17C19 |
ABC5D17E19 |
109.75 |
5.46 |
-8.74 |
-1.77 |
0 |
|
|
54539 |
17388854 |
1 |
OCl2N4H16C18 |
AB2C4D16E18 |
44.89 |
7.9 |
-8.53 |
-1.2 |
0 |
|
|
54540 |
17388855 |
1 |
Cl3N3H8C11 |
A3B3C8D11 |
73.69 |
1.2 |
-9.31 |
-1.16 |
0 |
|
|
54541 |
17388857 |
1 |
ClON3C11H18 |
ABC3D11E18 |
-72.57 |
11.21 |
-9.91 |
-0.29 |
0 |
|
|
54542 |
17388858 |
1 |
SN3O6H15C20 |
AB3C6D15E20 |
-136.78 |
9.21 |
-9.52 |
-2.41 |
0 |
|
|
54543 |
17388862 |
1 |
PO3N4C23H29 |
AB3C4D23E29 |
-64.89 |
3.36 |
-8.19 |
-0.26 |
0 |
|
|
54544 |
17388867 |
1 |
BrSN2H11C14 |
ABC2D11E14 |
85.63 |
0.43 |
-8.76 |
-0.79 |
0 |
|
|
54545 |
17388868 |
1 |
SN2O2H12C15 |
AB2C2D12E15 |
20.93 |
1.07 |
-8.66 |
-0.55 |
0 |
|
|
54546 |
17388871 |
1 |
BrOSN3H16C22 |
ABCD3E16F22 |
106.55 |
3.9 |
-8.72 |
-0.96 |
0 |
|
|
54547 |
17388872 |
1 |
OSN2H14C17 |
ABC2D14E17 |
102.47 |
3.01 |
-8.59 |
-0.48 |
0 |
|
|
54548 |
17388873 |
1 |
BrOSN2H13C17 |
ABCD2E13F17 |
107.53 |
3.41 |
-8.69 |
-0.6 |
0 |
|
|
54549 |
17388877 |
1 |
N2O7C21H30 |
A2B7C21D30 |
-294.98 |
4.77 |
-8.82 |
0.07 |
0 |
|
|
54550 |
17388880 |
1 |
FN2O5C26H27 |
AB2C5D26E27 |
-186.13 |
10.41 |
-9.59 |
-0.77 |
0 |
|
|
54551 |
17388881 |
1 |
FON2C24H25 |
ABC2D24E25 |
-13.44 |
1.35 |
-8.81 |
0.01 |
0 |
|
|
54552 |
17388882 |
1 |
FN2O5C26H27 |
AB2C5D26E27 |
-169.91 |
3.23 |
-8.81 |
-0.9 |
0 |
|
|
54553 |
17388883 |
1 |
FON2C24H25 |
ABC2D24E25 |
-14.37 |
1.87 |
-8.85 |
-0.02 |
0 |
|
|
54554 |
17388884 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-117.62 |
9.28 |
-9.78 |
-0.82 |
0 |
|
|
54555 |
17388887 |
1 |
NO4C25H27 |
AB4C25D27 |
-100.07 |
1.89 |
-8.66 |
-1.24 |
0 |
|
|
54556 |
17388888 |
1 |
NO6C21H31 |
AB6C21D31 |
-254.06 |
2.3 |
-8.31 |
-1.2 |
0 |
|
|
54557 |
17388889 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-130.24 |
8.26 |
-9.46 |
-0.64 |
0 |
|
|
54558 |
17388890 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-110.09 |
3.42 |
-8.9 |
-1.1 |
0 |
|
|
54559 |
17388891 |
1 |
NO6C25H27 |
AB6C25D27 |
-167.48 |
2.0 |
-8.52 |
-1.43 |
0 |
|
|
54560 |
17388895 |
1 |
N2O3C32H34 |
A2B3C32D34 |
-10.24 |
3.3 |
-8.22 |
0.09 |
0 |
|
|
54561 |
17388896 |
1 |
ClN2O4C26H27 |
AB2C4D26E27 |
-91.65 |
9.99 |
-7.34 |
-0.26 |
0 |
|
|
54562 |
17388897 |
1 |
NO6C20H23 |
AB6C20D23 |
-188.77 |
2.74 |
-8.68 |
-1.13 |
0 |
|
|
54563 |
17388904 |
1 |
O2S2N4H20C21 |
A2B2C4D20E21 |
-3.64 |
7.73 |
-8.58 |
-1.36 |
0 |
|
|
54564 |
17388908 |
1 |
N2O5C19H22 |
A2B5C19D22 |
-117.45 |
2.94 |
-8.24 |
-0.56 |
0 |
|
|
54565 |
17388910 |
1 |
O3N4C13H14 |
A3B4C13D14 |
-68.84 |
6.63 |
-9.58 |
-0.84 |
0 |
|
|
54566 |
17388911 |
1 |
OSN6C21H22 |
ABC6D21E22 |
85.3 |
2.28 |
-8.17 |
-1.25 |
0 |
|
|
54568 |
17388916 |
1 |
ClNF3O3H15C21 |
ABC3D3E15F21 |
-210.07 |
9.18 |
-9.02 |
-0.95 |
0 |
|
|
54569 |
17388917 |
1 |
ClN2O3C22H27 |
AB2C3D22E27 |
-97.01 |
4.13 |
-8.38 |
-0.03 |
0 |
|
|
54570 |
17388919 |
1 |
N4O5H12C18 |
A4B5C12D18 |
-42.43 |
4.34 |
-9.5 |
-1.71 |
0 |
|
|
54571 |
17388923 |
1 |
BrN3O5H10C16 |
AB3C5D10E16 |
-8.29 |
9.41 |
-9.48 |
-1.86 |
0 |
|
|
54572 |
17388925 |
1 |
ClN2O3H17C21 |
AB2C3D17E21 |
-16.59 |
6.24 |
-8.8 |
-1.34 |
0 |
|
|
54573 |
17388926 |
1 |
SN3O4C18H19 |
AB3C4D18E19 |
-57.06 |
5.95 |
-8.78 |
-1.3 |
0 |
|
|
54574 |
17388927 |
1 |
SN4O4H14C16 |
AB4C4D14E16 |
-27.89 |
6.13 |
-8.74 |
-1.8 |
0 |
|
|
54575 |
17388928 |
1 |
ClSN3O4H14C15 |
ABC3D4E14F15 |
-78.07 |
4.68 |
-8.71 |
-1.23 |
0 |
|
|
54576 |
17388929 |
1 |
BrO2N5H14C19 |
AB2C5D14E19 |
92.89 |
5.83 |
-8.73 |
-1.86 |
0 |
|
|
54577 |
17388930 |
1 |
ClFON3H11C16 |
ABCD3E11F16 |
35.13 |
3.24 |
-8.68 |
-1.65 |
0 |
|
|
54578 |
17388932 |
1 |
N4O6H12C13 |
A4B6C12D13 |
-56.51 |
8.48 |
-9.29 |
-1.9 |
0 |
|
|
54579 |
17388933 |
1 |
SN2O2H18C23 |
AB2C2D18E23 |
31.43 |
5.43 |
-8.92 |
-1.24 |
0 |
|
|
54580 |
17388935 |
1 |
FNO2S2H12C17 |
ABC2D2E12F17 |
-37.02 |
6.87 |
-8.86 |
-1.55 |
0 |
|
|
54581 |
17388936 |
1 |
FNO2S2H12C17 |
ABC2D2E12F17 |
-36.37 |
5.21 |
-8.87 |
-1.59 |
0 |
|
|
54582 |
17388938 |
1 |
ClNSO4H14C18 |
ABCD4E14F18 |
-97.59 |
2.08 |
-8.83 |
-1.23 |
0 |
|
|
54583 |
17388939 |
1 |
FNSO3H12C17 |
ABCD3E12F17 |
-101.68 |
6.49 |
-9.1 |
-1.31 |
0 |
|
|
54584 |
17388941 |
1 |
BrFNSO3H11C17 |
ABCDE3F11G17 |
-97.19 |
6.25 |
-9.15 |
-1.43 |
0 |
|
|
54585 |
17388942 |
1 |
FNS2O4H14C19 |
ABC2D4E14F19 |
-117.9 |
6.51 |
-9.09 |
-1.94 |
0 |
|
|
54586 |
17388944 |
1 |
N4O9C23H26 |
A4B9C23D26 |
-352.98 |
11.94 |
-9.35 |
-1.96 |
0 |
|
|
54587 |
17388945 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
4.77 |
3.19 |
-9.02 |
-1.28 |
0 |
|
|
54588 |
17388946 |
1 |
ClFN3C13H17 |
ABC3D13E17 |
-23.41 |
1.93 |
-8.85 |
-0.44 |
0 |
|
|
54589 |
17388947 |
1 |
ClNO2C24H40 |
ABC2D24E40 |
-81.86 |
38.66 |
-5.61 |
-1.82 |
0 |
|
|
54590 |
17388951 |
1 |
NaN2S2O5H9C11 |
AB2C2D5E9F11 |
-172.24 |
15.56 |
-9.55 |
-1.17 |
0 |