List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29023 |
831183 |
1 |
BrO4H11C13 |
AB4C11D13 |
-105.62 |
4.18 |
-9.72 |
-1.05 |
0 |
|
|
29024 |
831193 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-54.2 |
5.61 |
-8.52 |
-0.6 |
0 |
|
|
29025 |
831195 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-28.03 |
5.21 |
-8.7 |
-0.11 |
0 |
|
|
29026 |
831197 |
1 |
N2O3H14C16 |
A2B3C14D16 |
-27.65 |
6.73 |
-9.5 |
-0.73 |
0 |
|
|
29027 |
831205 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-43.34 |
7.92 |
-8.62 |
-0.65 |
0 |
|
|
29028 |
831207 |
1 |
NO4C18H21 |
AB4C18D21 |
-118.13 |
3.92 |
-8.59 |
-0.16 |
0 |
|
|
29029 |
831220 |
1 |
NO2H13C16 |
AB2C13D16 |
-13.99 |
4.91 |
-8.49 |
-0.67 |
0 |
|
|
29030 |
831236 |
1 |
ON5H19C20 |
AB5C19D20 |
112.67 |
4.88 |
-8.8 |
-0.82 |
0 |
|
|
29031 |
831238 |
2 |
OC7H8 |
AB7C8 |
-55.52 |
3.48 |
-8.84 |
0.02 |
0 |
|
|
29032 |
831239 |
2 |
OC7H8 |
AB7C8 |
-54.14 |
2.26 |
-8.66 |
0.27 |
0 |
|
|
29033 |
831240 |
1 |
NO3H15C18 |
AB3C15D18 |
31.49 |
2.02 |
-9.64 |
-1.66 |
0 |
|
|
29034 |
831261 |
1 |
Cl2N3C17H17 |
A2B3C17D17 |
59.53 |
2.12 |
-9.03 |
-0.38 |
0 |
|
|
29035 |
831262 |
1 |
NO3C12H15 |
AB3C12D15 |
-129.44 |
1.66 |
-9.36 |
-0.95 |
0 |
|
|
29036 |
831264 |
1 |
NSO3C17H19 |
ABC3D17E19 |
-105.79 |
5.78 |
-8.74 |
-0.58 |
0 |
|
|
29037 |
831273 |
1 |
ClSN3H14C16 |
ABC3D14E16 |
57.78 |
3.58 |
-8.66 |
-0.92 |
0 |
|
|
29038 |
831293 |
4 |
OC4H5 |
AB4C5 |
-137.23 |
3.25 |
-8.68 |
-0.45 |
0 |
|
|
29039 |
831294 |
2 |
NOH9C10 |
ABC9D10 |
24.19 |
3.67 |
-8.8 |
-0.58 |
0 |
|
|
29040 |
831295 |
1 |
O2N4H16C19 |
A2B4C16D19 |
55.92 |
11.74 |
-8.48 |
-0.63 |
0 |
|
|
29041 |
831298 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-31.58 |
4.09 |
-8.54 |
-0.38 |
0 |
|
|
29042 |
831299 |
1 |
N2O5H12C17 |
A2B5C12D17 |
-28.07 |
4.34 |
-9.23 |
-1.74 |
0 |
|
|
29043 |
831302 |
1 |
ClSN2O2H9C16 |
ABC2D2E9F16 |
14.51 |
1.68 |
-9.14 |
-1.62 |
0 |
|
|
29044 |
831307 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-87.06 |
7.84 |
-8.58 |
-0.94 |
0 |
|
|
29045 |
831308 |
1 |
ClOSN2H11C15 |
ABCD2E11F15 |
52.18 |
5.61 |
-8.75 |
-1.74 |
0 |
|
|
29046 |
831315 |
1 |
FNO4H16C18 |
ABC4D16E18 |
-155.36 |
2.63 |
-9.43 |
-1.07 |
0 |
|
|
29047 |
831316 |
1 |
OSN2H16C20 |
ABC2D16E20 |
64.31 |
3.01 |
-8.49 |
-1.28 |
0 |
|
|
29048 |
831320 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
-24.13 |
9.64 |
-9.62 |
-1.49 |
0 |
|
|
29049 |
831321 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-168.0 |
4.15 |
-9.77 |
-0.73 |
0 |
|
|
29050 |
831323 |
1 |
SN3H15C16 |
AB3C15D16 |
96.04 |
4.69 |
-8.31 |
-1.09 |
0 |
|
|
29051 |
831345 |
1 |
NOS2H15C17 |
ABC2D15E17 |
26.32 |
3.34 |
-8.85 |
-0.87 |
0 |
|
|
29052 |
831346 |
1 |
ClNOC15H20 |
ABCD15E20 |
-51.85 |
4.46 |
-8.78 |
-0.02 |
0 |
|
|
29053 |
831347 |
1 |
N2O5H14C17 |
A2B5C14D17 |
-113.05 |
6.68 |
-9.5 |
-1.26 |
0 |
|
|
29054 |
831350 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-113.21 |
4.1 |
-9.68 |
-0.76 |
0 |
|
|
29055 |
831356 |
1 |
NSO3H17C18 |
ABC3D17E18 |
-46.31 |
3.88 |
-8.51 |
-1.46 |
0 |
|
|
29056 |
831359 |
1 |
NO2C13H13 |
AB2C13D13 |
-41.23 |
4.52 |
-8.54 |
-0.46 |
0 |
|
|
29057 |
831362 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-121.96 |
3.11 |
-9.4 |
-1.43 |
0 |
|
|
29058 |
831363 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-121.95 |
3.09 |
-9.4 |
-1.43 |
0 |
|
|
29059 |
831373 |
1 |
NCl2O3H13C14 |
AB2C3D13E14 |
-115.82 |
2.03 |
-9.19 |
-0.71 |
0 |
|
|
29060 |
831374 |
1 |
ON3H15C17 |
AB3C15D17 |
56.01 |
4.81 |
-8.95 |
-0.17 |
0 |
|
|
29061 |
831376 |
1 |
NO3C15H17 |
AB3C15D17 |
-112.13 |
6.6 |
-8.95 |
-0.22 |
0 |
|
|
29062 |
831381 |
1 |
NO3C15H15 |
AB3C15D15 |
-89.08 |
4.16 |
-8.77 |
-0.22 |
0 |
|
|
29063 |
831390 |
1 |
N3O4H13C16 |
A3B4C13D16 |
-23.56 |
4.99 |
-8.44 |
-2.05 |
0 |
|
|
29064 |
831391 |
1 |
N3O5H15C17 |
A3B5C15D17 |
-60.39 |
4.44 |
-8.2 |
-2.05 |
0 |
|
|
29065 |
831392 |
1 |
N3O4H15C17 |
A3B4C15D17 |
-32.66 |
5.36 |
-8.38 |
-2.02 |
0 |
|
|
29066 |
831395 |
1 |
BrON2H11C16 |
ABC2D11E16 |
37.64 |
3.51 |
-8.78 |
-1.06 |
0 |
|
|
29067 |
831396 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-153.3 |
6.75 |
-8.44 |
-0.12 |
0 |
|
|
29068 |
831408 |
1 |
BrON2H11C16 |
ABC2D11E16 |
37.33 |
0.74 |
-9.02 |
-0.98 |
0 |
|
|
29069 |
831417 |
1 |
N3O4H13C16 |
A3B4C13D16 |
-24.28 |
3.95 |
-9.97 |
-1.62 |
0 |
|
|
29070 |
831421 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-25.14 |
9.45 |
-9.53 |
-1.38 |
0 |
|
|
29071 |
831430 |
2 |
N2O2H5C8 |
A2B2C5D8 |
18.03 |
4.9 |
-8.83 |
-2.64 |
0 |
|
|
29072 |
831440 |
1 |
NOC17H23 |
ABC17D23 |
-41.02 |
3.54 |
-9.45 |
-0.25 |
0 |
|
|
29073 |
831442 |
1 |
SCl2O2H10C12 |
AB2C2D10E12 |
-76.77 |
2.69 |
-9.04 |
-1.48 |
0 |
|
|
29074 |
831443 |
1 |
OSN4C16H16 |
ABC4D16E16 |
38.17 |
7.24 |
-8.32 |
-0.62 |
0 |
|
|
29075 |
831446 |
1 |
FO2N3C15H20 |
AB2C3D15E20 |
-97.07 |
2.17 |
-8.6 |
-0.06 |
0 |
|
|
29076 |
831447 |
1 |
FN2O2C13H17 |
AB2C2D13E17 |
-116.62 |
2.24 |
-9.29 |
-0.37 |
0 |
|
|
29077 |
831449 |
1 |
NO5C17H19 |
AB5C17D19 |
-193.68 |
6.36 |
-9.09 |
-0.61 |
0 |
|
|
29078 |
831453 |
1 |
FNO3C15H16 |
ABC3D15E16 |
-155.99 |
6.34 |
-9.49 |
-0.65 |
0 |
|
|
29079 |
831471 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-185.53 |
3.73 |
-8.32 |
-0.44 |
0 |
|
|
29080 |
831473 |
1 |
NOC12H21 |
ABC12D21 |
-73.71 |
3.81 |
-9.56 |
1.32 |
0 |
|
|
29081 |
831474 |
1 |
NOC12H21 |
ABC12D21 |
-74.16 |
3.76 |
-9.5 |
1.34 |
0 |
|
|
29082 |
831476 |
1 |
ClO2N3H14C16 |
AB2C3D14E16 |
-42.15 |
3.73 |
-9.78 |
-1.36 |
0 |
|
|
29083 |
831479 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-29.56 |
2.68 |
-8.15 |
-0.82 |
0 |
|
|
29084 |
831482 |
1 |
NO3C17H19 |
AB3C17D19 |
-81.5 |
1.66 |
-8.78 |
0.07 |
0 |
|
|
29085 |
831490 |
1 |
BrNO4H10C14 |
ABC4D10E14 |
-92.16 |
2.89 |
-9.26 |
-0.9 |
0 |
|
|
29086 |
831493 |
1 |
SN2O4C14H22 |
AB2C4D14E22 |
-142.42 |
3.78 |
-8.58 |
0.32 |
0 |
|
|
29087 |
831494 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-25.66 |
4.63 |
-8.17 |
0.02 |
0 |
|
|
29088 |
831496 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-58.73 |
4.09 |
-8.67 |
-0.24 |
0 |
|
|
29089 |
831498 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-58.69 |
3.94 |
-8.65 |
-0.33 |
0 |
|
|
29090 |
831522 |
1 |
ClN2C14H21 |
AB2C14D21 |
2.44 |
2.65 |
-8.31 |
-0.04 |
0 |
|
|
29091 |
831548 |
1 |
BrNOC17H24 |
ABCD17E24 |
-66.86 |
3.04 |
-9.6 |
-0.39 |
0 |
|
|
29092 |
831556 |
1 |
ClNO2C16H18 |
ABC2D16E18 |
-37.99 |
2.81 |
-8.38 |
-0.03 |
0 |
|
|
29093 |
831559 |
2 |
NOC7H8 |
ABC7D8 |
-5.39 |
2.77 |
-8.63 |
-0.18 |
0 |
|
|
29094 |
831563 |
1 |
NO2C14H15 |
AB2C14D15 |
-39.83 |
3.17 |
-8.81 |
-0.49 |
0 |
|
|
29095 |
831592 |
1 |
ON2C12H14 |
AB2C12D14 |
-11.23 |
3.54 |
-9.43 |
0.06 |
0 |
|
|
29096 |
831594 |
1 |
ON2C13H16 |
AB2C13D16 |
-19.8 |
3.87 |
-9.27 |
0.1 |
0 |
|
|
29097 |
831620 |
1 |
ClO4C18H19 |
AB4C18D19 |
-126.71 |
4.26 |
-9.14 |
-0.62 |
0 |
|
|
29098 |
831627 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-116.1 |
3.86 |
-8.48 |
-0.28 |
0 |
|
|
29099 |
831633 |
1 |
ClOSC8H9 |
ABCD8E9 |
-24.84 |
2.25 |
-9.64 |
-1.18 |
0 |
|
|
29100 |
831635 |
1 |
N2O5H14C15 |
A2B5C14D15 |
-49.66 |
3.83 |
-9.09 |
-1.79 |
0 |
|
|
29101 |
831646 |
1 |
OS2N3C10H11 |
AB2C3D10E11 |
22.56 |
4.66 |
-8.81 |
-1.26 |
0 |
|
|
29102 |
831647 |
1 |
FNO3H10C13 |
ABC3D10E13 |
-101.25 |
1.42 |
-9.82 |
-1.12 |
0 |
|
|
29103 |
831648 |
1 |
OSN3H17C20 |
ABC3D17E20 |
65.34 |
3.65 |
-8.65 |
-0.87 |
0 |
|
|
29104 |
831650 |
1 |
SN2O3H14C15 |
AB2C3D14E15 |
-54.63 |
2.47 |
-8.52 |
-0.5 |
0 |
|
|
29105 |
831654 |
1 |
NO5C15H15 |
AB5C15D15 |
-150.7 |
5.29 |
-9.01 |
-0.45 |
0 |
|
|
29106 |
831657 |
1 |
NSO5C15H17 |
ABC5D15E17 |
-198.71 |
3.7 |
-8.93 |
-0.78 |
0 |
|
|
29107 |
831660 |
1 |
NSO5C11H13 |
ABC5D11E13 |
-216.74 |
1.48 |
-8.94 |
-0.8 |
0 |
|
|
29108 |
831661 |
1 |
NSO5C12H13 |
ABC5D12E13 |
-182.82 |
3.85 |
-9.11 |
-1.42 |
0 |
|
|
29109 |
831663 |
1 |
NOC16H21 |
ABC16D21 |
-26.27 |
2.63 |
-8.89 |
0.32 |
0 |
|
|
29110 |
831664 |
1 |
ClNSO4H12C14 |
ABCD4E12F14 |
-111.46 |
4.43 |
-8.92 |
-1.05 |
0 |
|
|
29111 |
831666 |
1 |
O4H16C17 |
A4B16C17 |
-124.8 |
3.24 |
-9.74 |
-1.61 |
0 |
|
|
29112 |
831676 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-28.97 |
2.55 |
-8.94 |
-0.67 |
0 |
|
|
29113 |
831679 |
1 |
ClNOSH10C15 |
ABCDE10F15 |
27.54 |
2.98 |
-8.6 |
-1.22 |
0 |
|
|
29114 |
831680 |
1 |
NSO3H17C19 |
ABC3D17E19 |
-77.11 |
2.14 |
-8.76 |
-1.15 |
0 |
|
|
29115 |
831681 |
1 |
NSO3C17H23 |
ABC3D17E23 |
-121.76 |
1.94 |
-8.93 |
-0.51 |
0 |
|
|
29116 |
831682 |
1 |
ClO3N4C14H15 |
AB3C4D14E15 |
-16.88 |
2.88 |
-8.35 |
-0.77 |
0 |
|
|
29117 |
831683 |
1 |
ClO3N4C15H17 |
AB3C4D15E17 |
-40.17 |
2.46 |
-8.45 |
-0.8 |
0 |
|
|
29118 |
831684 |
1 |
N4O4H14C15 |
A4B4C14D15 |
-82.97 |
7.65 |
-9.4 |
-0.98 |
0 |
|
|
29119 |
831691 |
1 |
FSN2O2H13C17 |
ABC2D2E13F17 |
-40.26 |
8.2 |
-8.73 |
-1.11 |
0 |
|
|
29120 |
831696 |
1 |
OSN2H14C19 |
ABC2D14E19 |
51.34 |
2.41 |
-8.73 |
-0.54 |
0 |
|
|
29121 |
831699 |
2 |
NOC11H12 |
ABC11D12 |
-40.01 |
3.66 |
-8.71 |
-0.9 |
0 |
|
|
29122 |
831700 |
1 |
ON2S2C17H18 |
AB2C2D17E18 |
28.62 |
2.48 |
-8.38 |
-0.74 |
0 |