List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
142634 |
53069866 |
1 |
ON5H19C21 |
AB5C19D21 |
90.89 |
5.81 |
-9.51 |
-1.11 |
0 |
|
|
142635 |
53069867 |
2 |
ON3C10H11 |
AB3C10D11 |
17.09 |
2.78 |
-9.48 |
-1.15 |
0 |
|
|
142636 |
53069868 |
1 |
ON5C25H25 |
AB5C25D25 |
84.46 |
3.26 |
-9.36 |
-1.15 |
0 |
|
|
142637 |
53070053 |
1 |
O4N5C23H25 |
A4B5C23D25 |
-88.14 |
3.31 |
-8.55 |
-0.91 |
0 |
|
|
142638 |
53070236 |
1 |
ClO2N5C27H32 |
AB2C5D27E32 |
-37.08 |
3.95 |
-8.38 |
-0.74 |
0 |
|
|
142639 |
53070503 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-45.36 |
6.7 |
-8.37 |
-0.73 |
0 |
|
|
142640 |
53070504 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-29.54 |
6.83 |
-8.35 |
-0.74 |
0 |
|
|
142641 |
53070671 |
1 |
FO3N5C24H24 |
AB3C5D24E24 |
-90.95 |
6.17 |
-8.51 |
-1.1 |
0 |
|
|
142642 |
53070846 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-119.99 |
3.59 |
-8.68 |
-0.34 |
0 |
|
|
142643 |
53070951 |
1 |
FSN2O4C23H23 |
ABC2D4E23F23 |
-140.64 |
5.3 |
-9.35 |
-0.88 |
0 |
|
|
142644 |
53071205 |
1 |
ClO3N4C25H27 |
AB3C4D25E27 |
-51.13 |
7.98 |
-8.54 |
-0.95 |
0 |
|
|
142645 |
53071238 |
1 |
ClN4O4C26H29 |
AB4C4D26E29 |
-84.6 |
4.66 |
-8.5 |
-1.09 |
0 |
|
|
142646 |
53071526 |
1 |
BrSO2N4C21H21 |
ABC2D4E21F21 |
11.52 |
4.57 |
-8.9 |
-1.19 |
0 |
|
|
142647 |
53071552 |
1 |
ClSN4O4C22H23 |
ABC4D4E22F23 |
-72.87 |
9.45 |
-8.73 |
-1.03 |
0 |
|
|
142648 |
53071553 |
1 |
ClSN4O4C22H23 |
ABC4D4E22F23 |
-73.46 |
6.21 |
-8.88 |
-0.8 |
0 |
|
|
142649 |
53071554 |
1 |
SO3N4C25H30 |
AB3C4D25E30 |
-50.92 |
7.8 |
-8.87 |
-0.63 |
0 |
|
|
142650 |
53071876 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-44.46 |
3.43 |
-8.33 |
-0.19 |
0 |
|
|
142651 |
53071877 |
1 |
OF3N4H21C23 |
AB3C4D21E23 |
-119.97 |
3.64 |
-8.49 |
-0.6 |
0 |
|
|
142652 |
53071878 |
1 |
BrON4C23H23 |
ABC4D23E23 |
32.29 |
4.75 |
-8.5 |
-0.28 |
0 |
|
|
142653 |
53071879 |
1 |
ON4C24H26 |
AB4C24D26 |
27.73 |
5.55 |
-8.27 |
0.01 |
0 |
|
|
142654 |
53071880 |
1 |
FON4H21C22 |
ABC4D21E22 |
-2.39 |
3.73 |
-8.33 |
-0.3 |
0 |
|
|
142655 |
53072027 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-96.42 |
5.76 |
-9.17 |
-0.54 |
0 |
|
|
142656 |
53072105 |
1 |
SO2N4C18H28 |
AB2C4D18E28 |
-50.9 |
4.98 |
-8.84 |
-0.46 |
0 |
|
|
142657 |
53072247 |
2 |
OSN2C10H10 |
ABC2D10E10 |
3.37 |
7.07 |
-8.46 |
-1.06 |
0 |
|
|
142658 |
53072248 |
1 |
ClSO2N4H19C21 |
ABC2D4E19F21 |
-1.98 |
7.62 |
-8.47 |
-1.07 |
0 |
|
|
142659 |
53072249 |
1 |
SO3N4C23H24 |
AB3C4D23E24 |
-41.28 |
7.29 |
-8.46 |
-1.08 |
0 |
|
|
142660 |
53072294 |
1 |
ClSO2N4C16H17 |
ABC2D4E16F17 |
-34.3 |
8.71 |
-8.97 |
-1.23 |
0 |
|
|
142661 |
53072295 |
1 |
ClSO2N4C18H21 |
ABC2D4E18F21 |
-38.43 |
4.68 |
-9.29 |
-1.76 |
0 |
|
|
142662 |
53072930 |
1 |
SN4O4C24H26 |
AB4C4D24E26 |
-115.57 |
3.37 |
-8.8 |
-1.48 |
0 |
|
|
142663 |
53073118 |
1 |
SN3O5C21H25 |
AB3C5D21E25 |
-170.45 |
5.31 |
-9.74 |
-1.35 |
0 |
|
|
142664 |
53073521 |
1 |
ClSN3O4H16C19 |
ABC3D4E16F19 |
-81.32 |
4.39 |
-9.33 |
-1.46 |
0 |
|
|
142665 |
53073572 |
1 |
SN3O4H19C20 |
AB3C4D19E20 |
-79.43 |
7.29 |
-9.11 |
-1.1 |
0 |
|
|
142666 |
53073573 |
1 |
SN3O4C23H25 |
AB3C4D23E25 |
-96.09 |
3.19 |
-8.75 |
-1.33 |
0 |
|
|
142667 |
53073574 |
1 |
SF3N3O4H16C20 |
AB3C3D4E16F20 |
-235.05 |
10.51 |
-9.51 |
-1.53 |
0 |
|
|
142668 |
53073575 |
1 |
SN3O4H21C22 |
AB3C4D21E22 |
-83.06 |
5.76 |
-8.89 |
-1.41 |
0 |
|
|
142669 |
53073576 |
1 |
ClFSN3O4H15C19 |
ABCD3E4F15G19 |
-123.83 |
9.68 |
-9.04 |
-1.51 |
0 |
|
|
142670 |
53073577 |
1 |
BrSN3O4H18C20 |
ABC3D4E18F20 |
-80.15 |
7.49 |
-9.3 |
-1.16 |
0 |
|
|
142671 |
53073749 |
1 |
S2O3N5C21H23 |
A2B3C5D21E23 |
-48.5 |
8.66 |
-9.11 |
-1.2 |
0 |
|
|
142672 |
53074299 |
1 |
SO3N5C21H21 |
AB3C5D21E21 |
-31.17 |
6.73 |
-8.9 |
-1.5 |
0 |
|
|
142673 |
53074300 |
1 |
SO2N5C22H23 |
AB2C5D22E23 |
-3.23 |
6.81 |
-8.78 |
-1.51 |
0 |
|
|
142674 |
53074363 |
1 |
ClSO2N4C19H19 |
ABC2D4E19F19 |
-12.25 |
0.68 |
-9.1 |
-1.38 |
0 |
|
|
142675 |
53074450 |
1 |
SO3N4H20C23 |
AB3C4D20E23 |
-5.47 |
3.01 |
-8.79 |
-1.27 |
0 |
|
|
142676 |
53074451 |
1 |
SF3O3N4H17C23 |
AB3C3D4E17F23 |
-155.12 |
4.32 |
-8.92 |
-1.49 |
0 |
|
|
142677 |
53074452 |
1 |
BrSO3N4H17C22 |
ABC3D4E17F22 |
5.35 |
3.25 |
-8.81 |
-1.38 |
0 |
|
|
142678 |
53074716 |
1 |
ClS2N3O4C22H26 |
AB2C3D4E22F26 |
-131.5 |
6.15 |
-8.87 |
-1.26 |
0 |
|
|
142679 |
53074717 |
1 |
ClS2N3O4C22H26 |
AB2C3D4E22F26 |
-127.32 |
4.71 |
-9.26 |
-1.14 |
0 |
|
|
142680 |
53074718 |
1 |
S2N3O4C22H33 |
A2B3C4D22E33 |
-163.48 |
9.33 |
-9.3 |
-1.06 |
0 |
|
|
142681 |
53075296 |
1 |
ClSN3O3H18C19 |
ABC3D3E18F19 |
-18.33 |
6.03 |
-9.51 |
-1.42 |
0 |
|
|
142682 |
53075297 |
1 |
SN3O5C22H25 |
AB3C5D22E25 |
-93.73 |
11.67 |
-9.14 |
-1.02 |
0 |
|
|
142683 |
53075298 |
1 |
BrSN3O3C21H22 |
ABC3D3E21F22 |
-14.63 |
8.53 |
-9.18 |
-1.26 |
0 |
|
|
142684 |
53075474 |
1 |
FSN4O5H15C18 |
ABC4D5E15F18 |
-118.29 |
6.85 |
-9.76 |
-1.17 |
0 |
|
|
142685 |
53075915 |
1 |
ClSN3O5C20H22 |
ABC3D5E20F22 |
-126.61 |
2.85 |
-8.67 |
-0.98 |
0 |
|
|
142686 |
53076047 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-4.31 |
8.26 |
-9.43 |
-0.6 |
0 |
|
|
142687 |
53076375 |
2 |
ON3C11H16 |
AB3C11D16 |
-9.36 |
2.06 |
-8.37 |
0.1 |
0 |
|
|
142688 |
53076587 |
1 |
ClO2N6C23H25 |
AB2C6D23E25 |
5.36 |
3.65 |
-8.58 |
-0.54 |
0 |
|
|
142689 |
53076588 |
1 |
O4N6C23H24 |
A4B6C23D24 |
-37.97 |
3.4 |
-8.67 |
-0.57 |
0 |
|
|
142690 |
53077045 |
1 |
SN2O7H20C22 |
AB2C7D20E22 |
-122.0 |
6.18 |
-8.44 |
-0.87 |
0 |
|
|
142691 |
53077046 |
1 |
FSN2O5H15C20 |
ABC2D5E15F20 |
-95.26 |
5.17 |
-9.65 |
-1.32 |
0 |
|
|
142692 |
53077047 |
1 |
FSN2O5H15C20 |
ABC2D5E15F20 |
-95.98 |
3.88 |
-9.6 |
-1.29 |
0 |
|
|
142693 |
53077048 |
1 |
SN2O6H20C22 |
AB2C6D20E22 |
-96.84 |
7.54 |
-9.02 |
-1.15 |
0 |
|
|
142694 |
53077049 |
1 |
SN3O5H15C19 |
AB3C5D15E19 |
-33.21 |
7.48 |
-9.68 |
-1.23 |
0 |
|
|
142695 |
53077068 |
1 |
FSN2O4H17C21 |
ABC2D4E17F21 |
-71.77 |
3.75 |
-9.59 |
-1.29 |
0 |
|
|
142696 |
53077123 |
1 |
SN2O4H22C23 |
AB2C4D22E23 |
-44.34 |
6.13 |
-9.13 |
-0.88 |
0 |
|
|
142697 |
53077873 |
1 |
N2O3C26H28 |
A2B3C26D28 |
-67.7 |
3.3 |
-8.33 |
-0.06 |
0 |
|
|
142698 |
53077979 |
1 |
ClON4C23H23 |
ABC4D23E23 |
22.73 |
4.98 |
-8.87 |
-0.48 |
0 |
|
|
142699 |
53078339 |
1 |
ClON4H17C23 |
ABC4D17E23 |
66.74 |
4.86 |
-9.14 |
-1.1 |
0 |
|
|
142700 |
53078557 |
1 |
SN2F3O4C13H15 |
AB2C3D4E13F15 |
-228.56 |
2.75 |
-10.17 |
-1.54 |
0 |
|
|
142701 |
53078577 |
1 |
S2N4O4C21H30 |
A2B4C4D21E30 |
-108.58 |
7.57 |
-9.1 |
-0.98 |
0 |
|
|
142702 |
53078651 |
1 |
SN4O4H20C23 |
AB4C4D20E23 |
-12.57 |
5.14 |
-8.47 |
-1.02 |
0 |
|
|
142703 |
53078774 |
1 |
SO3N4C21H30 |
AB3C4D21E30 |
-99.91 |
2.3 |
-8.94 |
0.0 |
0 |
|
|
142704 |
53079043 |
1 |
FSN4O4C20H27 |
ABC4D4E20F27 |
-174.2 |
5.79 |
-9.14 |
-0.34 |
0 |
|
|
142705 |
53079121 |
1 |
ClSN4O4C20H25 |
ABC4D4E20F25 |
-140.0 |
8.73 |
-8.85 |
-0.51 |
0 |
|
|
142706 |
53079147 |
1 |
SN4O5C23H28 |
AB4C5D23E28 |
-174.79 |
12.68 |
-8.7 |
-0.66 |
0 |
|
|
142707 |
53079341 |
2 |
NSO2C9H9 |
ABC2D9E9 |
-76.08 |
2.22 |
-9.19 |
-1.36 |
0 |
|
|
142708 |
53079451 |
1 |
N2S2O3C16H22 |
A2B2C3D16E22 |
-64.09 |
4.61 |
-9.59 |
-1.26 |
0 |
|
|
142709 |
53079557 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-60.41 |
6.97 |
-8.37 |
-0.79 |
0 |
|
|
142710 |
53079558 |
1 |
N3O5C23H25 |
A3B5C23D25 |
-140.21 |
8.57 |
-8.62 |
-0.66 |
0 |
|
|
142711 |
53080145 |
1 |
ClON3C15H16 |
ABC3D15E16 |
-13.82 |
2.65 |
-9.16 |
-1.02 |
0 |
|
|
142712 |
53080146 |
1 |
ON3C16H19 |
AB3C16D19 |
-14.12 |
3.57 |
-8.65 |
-0.81 |
0 |
|
|
142713 |
53080376 |
1 |
O2N3H17C20 |
A2B3C17D20 |
1.05 |
0.62 |
-9.23 |
-1.38 |
0 |
|
|
142714 |
53080378 |
1 |
BrON3H16C19 |
ABC3D16E19 |
33.86 |
3.91 |
-9.0 |
-1.44 |
0 |
|
|
142715 |
53080436 |
1 |
FS2N3O4C20H20 |
AB2C3D4E20F20 |
-169.16 |
6.61 |
-8.79 |
-1.21 |
0 |
|
|
142716 |
53080637 |
1 |
SO2N6C23H30 |
AB2C6D23E30 |
10.12 |
4.65 |
-8.93 |
-1.2 |
0 |
|
|
142717 |
53081062 |
1 |
S2N3O5C19H25 |
A2B3C5D19E25 |
-194.46 |
4.16 |
-9.42 |
-1.14 |
0 |
|
|
142718 |
53081478 |
1 |
ClO2N4C25H27 |
AB2C4D25E27 |
-17.31 |
1.95 |
-8.52 |
-0.97 |
0 |
|
|
142719 |
53081479 |
1 |
ClO2N4C25H27 |
AB2C4D25E27 |
-17.33 |
2.76 |
-8.51 |
-0.87 |
0 |
|
|
142720 |
53081577 |
1 |
SO3N4C23H26 |
AB3C4D23E26 |
-40.57 |
6.79 |
-8.58 |
-0.96 |
0 |
|
|
142721 |
53081635 |
1 |
SCl2N4O4H20C21 |
AB2C4D4E20F21 |
-73.24 |
5.28 |
-9.04 |
-1.19 |
0 |
|
|
142722 |
53081982 |
1 |
N4O5C27H32 |
A4B5C27D32 |
-104.98 |
2.94 |
-8.42 |
-1.0 |
0 |
|
|
142723 |
53082170 |
1 |
BrFO2N3H13C23 |
ABC2D3E13F23 |
26.29 |
2.2 |
-9.05 |
-1.21 |
0 |
|
|
142724 |
53082171 |
1 |
O2N3F4H13C24 |
A2B3C4D13E24 |
-131.48 |
3.33 |
-9.24 |
-1.41 |
0 |
|
|
142725 |
53082294 |
1 |
FSO3N4H21C24 |
ABC3D4E21F24 |
-51.69 |
3.77 |
-8.72 |
-0.84 |
0 |
|
|
142726 |
53082295 |
1 |
FSO2N4H23C26 |
ABC2D4E23F26 |
-30.87 |
3.44 |
-8.64 |
-1.05 |
0 |
|
|
142727 |
53082340 |
1 |
SO2N4C24H28 |
AB2C4D24E28 |
-29.82 |
4.07 |
-8.6 |
-0.9 |
0 |
|
|
142728 |
53082462 |
1 |
SN3O6C25H27 |
AB3C6D25E27 |
-115.72 |
5.79 |
-8.98 |
-1.44 |
0 |
|
|
142729 |
53082470 |
1 |
FSN3O4H22C23 |
ABC3D4E22F23 |
-81.65 |
5.87 |
-9.52 |
-1.59 |
0 |
|
|
142730 |
53082515 |
1 |
SO2N5H19C20 |
AB2C5D19E20 |
59.08 |
5.09 |
-8.38 |
-0.83 |
0 |
|
|
142731 |
53082624 |
1 |
FOSN5H14C18 |
ABCD5E14F18 |
34.11 |
8.33 |
-8.91 |
-1.92 |
0 |
|
|
142732 |
53082625 |
1 |
ClOSF3N5H11C18 |
ABCD3E5F11G18 |
-81.32 |
6.43 |
-9.24 |
-1.89 |
0 |
|
|
142733 |
53082759 |
1 |
OSF3N5H18C21 |
ABC3D5E18F21 |
-97.74 |
6.52 |
-9.25 |
-1.62 |
0 |