List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
426860 |
135154188 |
1 |
O3N5C25H27 |
A3B5C25D27 |
-21.27 |
5.76 |
-8.53 |
-0.87 |
0 |
|
|
426861 |
135154189 |
1 |
O2N5C18H21 |
A2B5C18D21 |
15.7 |
3.24 |
-8.69 |
-0.48 |
0 |
|
|
426862 |
135154192 |
1 |
O3N6C17H20 |
A3B6C17D20 |
-19.68 |
3.72 |
-8.75 |
-1.0 |
0 |
|
|
426863 |
135154204 |
1 |
ClSO2N4C17H17 |
ABC2D4E17F17 |
-29.94 |
9.79 |
-9.25 |
-1.26 |
0 |
|
|
426864 |
135154253 |
1 |
FON7C18H22 |
ABC7D18E22 |
24.91 |
3.94 |
-8.7 |
-0.58 |
0 |
|
|
426865 |
135154261 |
2 |
N2O3C9H13 |
A2B3C9D13 |
-220.82 |
5.09 |
-9.24 |
-0.9 |
0 |
|
|
426866 |
135154269 |
1 |
BrO2N6H23C24 |
AB2C6D23E24 |
30.35 |
5.67 |
-9.01 |
-0.84 |
0 |
|
|
426867 |
135154270 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-63.37 |
3.77 |
-8.68 |
-0.61 |
0 |
|
|
426868 |
135154271 |
1 |
FO2N5H22C24 |
AB2C5D22E24 |
-13.34 |
8.1 |
-9.31 |
-0.92 |
0 |
|
|
426869 |
135154279 |
1 |
ON7C19H19 |
AB7C19D19 |
95.7 |
5.47 |
-8.34 |
-0.53 |
0 |
|
|
426870 |
135154281 |
1 |
O2N7C16H19 |
A2B7C16D19 |
35.65 |
6.72 |
-8.57 |
-0.64 |
0 |
|
|
426871 |
135154282 |
1 |
ClON6C16H17 |
ABC6D16E17 |
47.45 |
6.13 |
-8.69 |
-0.73 |
0 |
|
|
426872 |
135154284 |
1 |
ON6C22H28 |
AB6C22D28 |
44.37 |
4.3 |
-8.26 |
-0.32 |
0 |
|
|
426873 |
135154285 |
1 |
ClO2N5C19H22 |
AB2C5D19E22 |
-1.71 |
4.79 |
-8.53 |
-0.67 |
0 |
|
|
426874 |
135154287 |
1 |
F2N3O4H9C12 |
A2B3C4D9E12 |
-107.02 |
6.34 |
-10.41 |
-2.22 |
0 |
|
|
426875 |
135154290 |
1 |
ClO3N6C23H25 |
AB3C6D23E25 |
-21.46 |
6.98 |
-8.74 |
-1.04 |
0 |
|
|
426876 |
135154293 |
1 |
FO3N4H29C32 |
AB3C4D29E32 |
-38.8 |
5.94 |
-9.15 |
-0.26 |
0 |
|
|
426877 |
135154295 |
1 |
ON7C17H21 |
AB7C17D21 |
77.25 |
2.35 |
-8.41 |
-0.55 |
0 |
|
|
426878 |
135154308 |
1 |
ClO2N6H23C28 |
AB2C6D23E28 |
61.7 |
2.82 |
-9.47 |
-0.84 |
0 |
|
|
426879 |
135154312 |
1 |
ClF2O2N4H25C31 |
AB2C2D4E25F31 |
-58.94 |
2.17 |
-9.55 |
-0.41 |
0 |
|
|
426880 |
135154322 |
1 |
F3O3C16H21 |
A3B3C16D21 |
-305.34 |
5.21 |
-10.52 |
-1.13 |
0 |
|
|
426881 |
135154327 |
1 |
ON6C20H20 |
AB6C20D20 |
66.41 |
6.85 |
-8.26 |
-0.67 |
0 |
|
|
426882 |
135154328 |
1 |
O3N7C22H27 |
A3B7C22D27 |
-7.67 |
5.77 |
-8.84 |
-0.87 |
0 |
|
|
426883 |
135154333 |
2 |
N2O3C14H17 |
A2B3C14D17 |
-171.82 |
4.31 |
-8.38 |
-0.33 |
0 |
|
|
426884 |
135154334 |
1 |
N3O5C19H19 |
A3B5C19D19 |
-49.42 |
8.34 |
-9.09 |
-1.47 |
0 |
|
|
426885 |
135154347 |
1 |
N4O4H30C33 |
A4B4C30D33 |
-36.33 |
5.57 |
-9.4 |
-0.63 |
0 |
|
|
426886 |
135154356 |
1 |
N3O5C19H23 |
A3B5C19D23 |
-158.23 |
7.57 |
-8.9 |
-0.88 |
0 |
|
|
426887 |
135154358 |
1 |
FO2N5H26C32 |
AB2C5D26E32 |
30.66 |
5.17 |
-9.48 |
-0.66 |
0 |
|
|
426888 |
135154359 |
1 |
ClO2N5H28C29 |
AB2C5D28E29 |
23.15 |
7.14 |
-9.51 |
-0.97 |
0 |
|
|
426889 |
135154360 |
4 |
NOC7H8 |
ABC7D8 |
-86.7 |
3.6 |
-8.69 |
-0.48 |
0 |
|
|
426890 |
135154370 |
1 |
ClF2O2N5H24C30 |
AB2C2D5E24F30 |
-48.33 |
7.87 |
-9.41 |
-1.03 |
0 |
|
|
426891 |
135154372 |
1 |
N3O5H27C28 |
A3B5C27D28 |
-126.05 |
2.8 |
-9.49 |
-1.0 |
0 |
|
|
426892 |
135154376 |
1 |
O3N5C26H29 |
A3B5C26D29 |
-35.91 |
4.35 |
-8.75 |
-0.59 |
0 |
|
|
426893 |
135154377 |
1 |
O2F3N4H25C31 |
A2B3C4D25E31 |
-93.1 |
5.72 |
-9.49 |
-0.47 |
0 |
|
|
426894 |
135154379 |
1 |
O4N5C21H25 |
A4B5C21D25 |
-81.99 |
5.6 |
-8.79 |
-1.06 |
0 |
|
|
426895 |
135154404 |
1 |
PO4N8C25H35 |
AB4C8D25E35 |
-137.13 |
8.24 |
-9.11 |
-0.56 |
0 |
|
|
426896 |
135154405 |
1 |
O3N8C20H24 |
A3B8C20D24 |
19.83 |
3.62 |
-8.77 |
-0.9 |
0 |
|
|
426897 |
135154420 |
1 |
ClPO4N7C24H35 |
ABC4D7E24F35 |
-177.49 |
3.61 |
-8.65 |
-0.07 |
0 |
|
|
426898 |
135154435 |
1 |
PF3O4N8C25H32 |
AB3C4D8E25F32 |
-288.66 |
5.63 |
-9.26 |
-0.97 |
0 |
|
|
426899 |
135154436 |
1 |
PF3O4N8C25H32 |
AB3C4D8E25F32 |
-289.65 |
6.01 |
-9.15 |
-0.9 |
0 |
|
|
426900 |
135154460 |
1 |
PO5N7C25H38 |
AB5C7D25E38 |
-211.5 |
6.9 |
-8.67 |
-0.08 |
0 |
|
|
426901 |
135154470 |
1 |
PF3O5N7C26H37 |
AB3C5D7E26F37 |
-374.52 |
3.05 |
-9.03 |
-0.46 |
0 |
|
|
426902 |
135154473 |
1 |
PF3O5N7C26H37 |
AB3C5D7E26F37 |
-377.83 |
3.75 |
-8.78 |
-0.51 |
0 |
|
|
426903 |
135154475 |
1 |
PF3O5N7C26H37 |
AB3C5D7E26F37 |
-373.08 |
6.98 |
-8.91 |
-0.32 |
0 |
|
|
426904 |
135154476 |
1 |
PO5N7C25H38 |
AB5C7D25E38 |
-207.69 |
4.99 |
-8.77 |
-0.29 |
0 |
|
|
426905 |
135154478 |
1 |
O2N4H28C31 |
A2B4C28D31 |
46.04 |
5.1 |
-9.12 |
-0.49 |
0 |
|
|
426906 |
135154479 |
1 |
PF3O4N8C25H32 |
AB3C4D8E25F32 |
-287.28 |
7.24 |
-9.2 |
-0.73 |
0 |
|
|
426907 |
135154481 |
1 |
PF3O4N8C25H32 |
AB3C4D8E25F32 |
-291.95 |
3.88 |
-9.04 |
-0.82 |
0 |
|
|
426908 |
135154482 |
1 |
ClPO4N7C25H37 |
ABC4D7E25F37 |
-176.05 |
3.7 |
-9.16 |
-0.61 |
0 |
|
|
426909 |
135154491 |
1 |
SP2C4O8H16 |
AB2C4D8E16 |
-382.93 |
8.57 |
-9.67 |
0.78 |
0 |
|
|
426910 |
135154509 |
1 |
O2N5H19C20 |
A2B5C19D20 |
26.86 |
6.93 |
-9.19 |
-1.06 |
0 |
|
|
426911 |
135154512 |
1 |
N2S2O7C25H30 |
A2B2C7D25E30 |
-230.24 |
4.91 |
-9.68 |
-1.91 |
0 |
|
|
426912 |
135154526 |
1 |
PO4N7C27H42 |
AB4C7D27E42 |
-181.76 |
2.84 |
-8.98 |
-0.42 |
0 |
|
|
426913 |
135154531 |
1 |
PF3O4N7C25H35 |
AB3C4D7E25F35 |
-338.47 |
6.7 |
-8.81 |
-0.37 |
0 |
|
|
426914 |
135154538 |
1 |
ClPO4N7C25H37 |
ABC4D7E25F37 |
-187.84 |
4.53 |
-8.74 |
-0.16 |
0 |
|
|
426915 |
135154539 |
1 |
ClPO4N7C25H37 |
ABC4D7E25F37 |
-184.49 |
8.54 |
-8.64 |
-0.09 |
0 |
|
|
426916 |
135154540 |
1 |
ClPO4N7C25H37 |
ABC4D7E25F37 |
-183.36 |
3.02 |
-9.07 |
-0.49 |
0 |
|
|
426917 |
135154545 |
1 |
PF3O5N7C25H35 |
AB3C5D7E25F35 |
-363.08 |
7.28 |
-9.18 |
-0.83 |
0 |
|
|
426918 |
135154547 |
1 |
ClNO3C12H14 |
ABC3D12E14 |
-95.61 |
1.64 |
-9.44 |
-1.06 |
0 |
|
|
426919 |
135154549 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-111.89 |
5.68 |
-8.81 |
-0.67 |
0 |
|
|
426920 |
135154550 |
1 |
PO5N7C25H38 |
AB5C7D25E38 |
-209.42 |
3.04 |
-8.79 |
-0.55 |
0 |
|
|
426921 |
135154551 |
1 |
PF3O5N7C25H35 |
AB3C5D7E25F35 |
-363.43 |
3.3 |
-9.1 |
-0.54 |
0 |
|
|
426922 |
135154554 |
1 |
PO4N7C26H40 |
AB4C7D26E40 |
-175.79 |
5.55 |
-8.8 |
-0.23 |
0 |
|
|
426923 |
135154555 |
1 |
ClPO4N7C24H35 |
ABC4D7E24F35 |
-179.2 |
4.35 |
-9.02 |
-0.46 |
0 |
|
|
426924 |
135154559 |
1 |
PO4N7C26H40 |
AB4C7D26E40 |
-183.05 |
3.28 |
-8.8 |
-0.22 |
0 |
|
|
426925 |
135154560 |
1 |
F2N3O3C20H21 |
A2B3C3D20E21 |
-158.08 |
6.51 |
-8.83 |
-1.13 |
0 |
|
|
426926 |
135154566 |
1 |
PO5N7C25H38 |
AB5C7D25E38 |
-206.33 |
6.96 |
-8.53 |
0.01 |
0 |
|
|
426927 |
135154573 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-84.37 |
4.44 |
-8.6 |
-0.26 |
0 |
|
|
426928 |
135154578 |
1 |
PF3O4N7C25H35 |
AB3C4D7E25F35 |
-336.44 |
1.57 |
-8.86 |
-0.6 |
0 |
|
|
426929 |
135154582 |
1 |
PF3O4N7C25H35 |
AB3C4D7E25F35 |
-332.18 |
5.35 |
-9.08 |
-0.52 |
0 |
|
|
426930 |
135154588 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-43.93 |
2.97 |
-8.65 |
-0.31 |
0 |
|
|
426931 |
135154593 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-29.1 |
4.32 |
-8.89 |
-1.02 |
0 |
|
|
426932 |
135154596 |
1 |
PF3O5N7C25H35 |
AB3C5D7E25F35 |
-356.42 |
3.86 |
-8.84 |
-0.34 |
0 |
|
|
426933 |
135154597 |
1 |
ClFO2N5H29C38 |
ABC2D5E29F38 |
42.68 |
3.07 |
-9.4 |
-0.59 |
0 |
|
|
426934 |
135154601 |
1 |
O6N9C41H51 |
A6B9C41D51 |
-101.63 |
8.07 |
-8.7 |
-0.58 |
0 |
|
|
426935 |
135154609 |
1 |
PO4N7C25H38 |
AB4C7D25E38 |
-174.07 |
4.51 |
-8.9 |
-0.34 |
0 |
|
|
426936 |
135154625 |
1 |
O3N5C18H21 |
A3B5C18D21 |
-33.1 |
4.46 |
-8.78 |
-0.81 |
0 |
|
|
426937 |
135154629 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-17.01 |
4.79 |
-8.75 |
-0.37 |
0 |
|
|
426938 |
135154630 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-76.2 |
3.59 |
-8.63 |
-0.22 |
0 |
|
|
426939 |
135154649 |
1 |
PF3O4N8C25H32 |
AB3C4D8E25F32 |
-293.17 |
6.9 |
-9.13 |
-0.94 |
0 |
|
|
426940 |
135154663 |
1 |
ClOSN2H9C11 |
ABCD2E9F11 |
4.02 |
2.74 |
-9.02 |
-1.25 |
0 |
|
|
426941 |
135154665 |
1 |
ClO4N10C32H41 |
AB4C10D32E41 |
-16.58 |
6.57 |
-8.9 |
-0.51 |
0 |
|
|
426942 |
135154666 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-20.24 |
3.55 |
-8.74 |
-0.63 |
0 |
|
|
426943 |
135154674 |
1 |
FPO4N7C23H33 |
ABC4D7E23F33 |
-208.46 |
3.58 |
-8.88 |
-0.4 |
0 |
|
|
426944 |
135154684 |
1 |
O2N5C11H15 |
A2B5C11D15 |
-24.74 |
4.05 |
-8.93 |
-1.02 |
0 |
|
|
426945 |
135154685 |
1 |
PF4O4N7C24H32 |
AB4C4D7E24F32 |
-361.55 |
6.07 |
-9.14 |
-0.6 |
0 |
|
|
426946 |
135154686 |
1 |
PF4O4N7C24H32 |
AB4C4D7E24F32 |
-368.66 |
5.9 |
-8.87 |
-0.63 |
0 |
|
|
426947 |
135154687 |
1 |
OCl2N4H16C19 |
AB2C4D16E19 |
-12.82 |
3.42 |
-9.12 |
-1.17 |
0 |
|
|
426948 |
135154688 |
1 |
ON2F5H23C24 |
AB2C5D23E24 |
-203.07 |
6.05 |
-9.57 |
-1.29 |
0 |
|
|
426949 |
135154689 |
1 |
NO3C16H29 |
AB3C16D29 |
-185.22 |
3.99 |
-9.41 |
1.12 |
0 |
|
|
426950 |
135154690 |
1 |
PO4N7C25H38 |
AB4C7D25E38 |
-179.45 |
3.59 |
-8.96 |
-0.38 |
0 |
|
|
426951 |
135154691 |
1 |
PO4N7C25H38 |
AB4C7D25E38 |
-176.4 |
1.11 |
-9.07 |
-0.57 |
0 |
|
|
426952 |
135154693 |
1 |
PO5F6N7C25H32 |
AB5C6D7E25F32 |
-521.78 |
2.48 |
-9.12 |
-0.83 |
0 |
|
|
426953 |
135154694 |
1 |
PO5F6N7C25H32 |
AB5C6D7E25F32 |
-522.56 |
5.25 |
-8.78 |
-0.74 |
0 |
|
|
426954 |
135154695 |
1 |
SN3O3H19C22 |
AB3C3D19E22 |
-48.01 |
7.36 |
-8.65 |
-1.02 |
0 |
|
|
426955 |
135154696 |
1 |
PO5N7C25H38 |
AB5C7D25E38 |
-209.82 |
3.52 |
-8.64 |
-0.31 |
0 |
|
|
426956 |
135154699 |
1 |
N5O5C22H25 |
A5B5C22D25 |
-109.75 |
5.79 |
-8.92 |
-1.09 |
0 |
|
|
426957 |
135154700 |
1 |
O2N5C18H21 |
A2B5C18D21 |
19.29 |
6.91 |
-8.6 |
-0.72 |
0 |
|
|
426958 |
135154701 |
1 |
FO2N7C19H20 |
AB2C7D19E20 |
2.06 |
4.92 |
-8.4 |
-1.12 |
0 |
|
|
426959 |
135154704 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-104.12 |
6.83 |
-8.8 |
-0.93 |
0 |