List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
272500 |
103744010 |
1 |
O4N5C12H13 |
A4B5C12D13 |
-10.22 |
7.5 |
-9.18 |
-0.95 |
0 |
|
|
272501 |
103744011 |
1 |
O4N5C12H13 |
A4B5C12D13 |
-7.47 |
4.56 |
-9.35 |
-1.25 |
0 |
|
|
272502 |
103744013 |
1 |
ClO2N5C12H14 |
AB2C5D12E14 |
4.09 |
4.38 |
-10.14 |
-1.34 |
0 |
|
|
272503 |
103744014 |
3 |
NOC3H5 |
ABC3D5 |
-74.15 |
5.87 |
-10.24 |
-0.44 |
0 |
|
|
272504 |
103744027 |
1 |
BrN3O3C12H12 |
AB3C3D12E12 |
-34.89 |
3.45 |
-9.27 |
-0.74 |
0 |
|
|
272505 |
103744037 |
1 |
FO2N3C12H12 |
AB2C3D12E12 |
-51.21 |
2.39 |
-9.81 |
-0.78 |
0 |
|
|
272506 |
103744066 |
2 |
ON2C5H6 |
AB2C5D6 |
12.18 |
3.66 |
-10.44 |
-0.65 |
0 |
|
|
272507 |
103744067 |
2 |
ON2C4H5 |
AB2C4D5 |
3.45 |
2.1 |
-10.7 |
-0.58 |
0 |
|
|
272508 |
103744070 |
1 |
O2N3C8H11 |
A2B3C8D11 |
-14.94 |
2.21 |
-10.04 |
-0.55 |
0 |
|
|
272509 |
103744089 |
1 |
O2N4C15H16 |
A2B4C15D16 |
9.41 |
2.38 |
-8.48 |
-0.61 |
0 |
|
|
272510 |
103744218 |
1 |
NO2C16H23 |
AB2C16D23 |
-64.2 |
1.88 |
-8.99 |
0.13 |
0 |
|
|
272511 |
103744219 |
1 |
NO2C16H23 |
AB2C16D23 |
-62.42 |
1.4 |
-8.86 |
0.05 |
0 |
|
|
272512 |
103744220 |
1 |
NO2C17H27 |
AB2C17D27 |
-103.63 |
3.71 |
-8.87 |
0.36 |
0 |
|
|
272513 |
103744221 |
1 |
NO2C17H27 |
AB2C17D27 |
-101.69 |
2.71 |
-8.74 |
0.19 |
0 |
|
|
272514 |
103744242 |
1 |
OCl2N2C12H12 |
AB2C2D12E12 |
-11.4 |
5.29 |
-9.26 |
-0.41 |
0 |
|
|
272515 |
103744306 |
1 |
O2N5C12H15 |
A2B5C12D15 |
14.02 |
5.92 |
-9.19 |
-0.52 |
0 |
|
|
272516 |
103744327 |
1 |
ON5H11C12 |
AB5C11D12 |
82.83 |
3.99 |
-9.2 |
-0.92 |
0 |
|
|
272517 |
103744375 |
1 |
SF2N3O3C11H11 |
AB2C3D3E11F11 |
-129.91 |
6.43 |
-9.46 |
-0.9 |
0 |
|
|
272518 |
103744380 |
1 |
SO3N6H8C9 |
AB3C6D8E9 |
80.95 |
3.5 |
-9.28 |
-1.56 |
0 |
|
|
272519 |
103744399 |
1 |
OSF3N4H9C12 |
ABC3D4E9F12 |
-89.68 |
5.53 |
-9.38 |
-1.15 |
0 |
|
|
272520 |
103744401 |
1 |
O4N5C12H13 |
A4B5C12D13 |
-5.53 |
2.55 |
-9.54 |
-1.43 |
0 |
|
|
272521 |
103744426 |
1 |
O3N4C10H10 |
A3B4C10D10 |
43.25 |
6.71 |
-9.31 |
-1.44 |
0 |
|
|
272522 |
103744427 |
1 |
BrFSN2O2C13H20 |
ABCD2E2F13G20 |
-109.51 |
5.29 |
-8.79 |
-1.13 |
0 |
|
|
272523 |
103744433 |
1 |
SN3O3C10H11 |
AB3C3D10E11 |
-28.19 |
5.13 |
-10.2 |
-0.71 |
0 |
|
|
272524 |
103744465 |
1 |
BrSN3O3C10H10 |
ABC3D3E10F10 |
-22.74 |
5.06 |
-9.31 |
-1.04 |
0 |
|
|
272525 |
103744477 |
1 |
O2N3C16H17 |
A2B3C16D17 |
25.68 |
3.19 |
-8.49 |
-0.42 |
0 |
|
|
272526 |
103744511 |
1 |
ON6C8H12 |
AB6C8D12 |
83.34 |
4.24 |
-9.6 |
-0.5 |
0 |
|
|
272527 |
103744532 |
1 |
ON3C14H19 |
AB3C14D19 |
20.76 |
3.0 |
-9.0 |
-0.42 |
0 |
|
|
272528 |
103744577 |
1 |
BrON3C11H12 |
ABC3D11E12 |
50.69 |
1.91 |
-9.62 |
-0.55 |
0 |
|
|
272529 |
103744578 |
1 |
OCl2N3C11H11 |
AB2C3D11E11 |
31.08 |
3.69 |
-9.49 |
-0.64 |
0 |
|
|
272530 |
103744579 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-7.29 |
1.31 |
-8.95 |
-0.72 |
0 |
|
|
272531 |
103744580 |
1 |
OF3N3C12H12 |
AB3C3D12E12 |
-114.09 |
1.0 |
-9.8 |
-0.66 |
0 |
|
|
272532 |
103744586 |
1 |
OF3N3C12H12 |
AB3C3D12E12 |
-110.94 |
5.45 |
-9.61 |
-0.66 |
0 |
|
|
272533 |
103744604 |
1 |
OSN4C10H14 |
ABC4D10E14 |
47.39 |
3.54 |
-9.55 |
-0.57 |
0 |
|
|
272534 |
103744617 |
1 |
O2N3C13H17 |
A2B3C13D17 |
0.24 |
4.12 |
-8.69 |
-0.41 |
0 |
|
|
272535 |
103744621 |
1 |
ON5C9H13 |
AB5C9D13 |
56.9 |
2.43 |
-9.43 |
-0.44 |
0 |
|
|
272536 |
103744630 |
1 |
ON5C9H13 |
AB5C9D13 |
56.17 |
3.06 |
-9.24 |
-0.58 |
0 |
|
|
272537 |
103744660 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-29.64 |
2.72 |
-8.36 |
-0.4 |
0 |
|
|
272538 |
103744778 |
1 |
O3N5C9H9 |
A3B5C9D9 |
47.83 |
4.69 |
-9.47 |
-1.34 |
0 |
|
|
272539 |
103744826 |
1 |
ON3C9H13 |
AB3C9D13 |
-3.35 |
5.47 |
-9.62 |
-0.13 |
0 |
|
|
272540 |
103744827 |
1 |
BrClN2S2O5H6C10 |
ABC2D2E5F6G10 |
-60.63 |
7.26 |
-9.31 |
-1.76 |
0 |
|
|
272541 |
103744881 |
1 |
ClFSN2O2H12C13 |
ABCD2E2F12G13 |
-87.47 |
6.91 |
-9.26 |
-1.22 |
0 |
|
|
272542 |
103744882 |
1 |
SCl2O2N3H9C13 |
AB2C2D3E9F13 |
-2.04 |
3.55 |
-9.86 |
-1.83 |
0 |
|
|
272543 |
103744883 |
1 |
ClSN2O3C9H13 |
ABC2D3E9F13 |
-101.95 |
5.69 |
-9.64 |
-0.76 |
0 |
|
|
272544 |
103744904 |
1 |
ClBr2N2O2S2H7C10 |
AB2C2D2E2F7G10 |
-8.02 |
6.1 |
-8.95 |
-1.62 |
0 |
|
|
272545 |
103744976 |
1 |
ClO2N3H8C11 |
AB2C3D8E11 |
-33.82 |
6.74 |
-9.3 |
-1.33 |
0 |
|
|
272546 |
103744977 |
1 |
ClF2N2O2H9C13 |
AB2C2D2E9F13 |
-132.57 |
1.17 |
-9.6 |
-0.9 |
0 |
|
|
272547 |
103744990 |
1 |
ClN2O2C16H17 |
AB2C2D16E17 |
-44.28 |
5.24 |
-9.28 |
-0.59 |
0 |
|
|
272548 |
103744991 |
1 |
ClON4H9C10 |
ABC4D9E10 |
31.6 |
2.68 |
-9.47 |
-0.84 |
0 |
|
|
272549 |
103744992 |
1 |
ClO3N4H7C10 |
AB3C4D7E10 |
5.88 |
2.53 |
-9.7 |
-1.32 |
0 |
|
|
272550 |
103745038 |
1 |
OCl2N3H7C10 |
AB2C3D7E10 |
3.84 |
1.89 |
-9.36 |
-1.0 |
0 |
|
|
272551 |
103745049 |
1 |
ClON4C11H11 |
ABC4D11E11 |
26.99 |
1.64 |
-9.75 |
-0.79 |
0 |
|
|
272552 |
103745094 |
1 |
SN2O2C11H14 |
AB2C2D11E14 |
-45.77 |
3.52 |
-8.68 |
-0.77 |
0 |
|
|
272553 |
103746130 |
1 |
ON3C15H21 |
AB3C15D21 |
-21.12 |
5.97 |
-8.88 |
-0.68 |
0 |
|
|
272554 |
103746464 |
1 |
ON4C12H22 |
AB4C12D22 |
-23.04 |
4.53 |
-9.37 |
0.63 |
0 |
|
|
272555 |
103746738 |
1 |
ON2C11H24 |
AB2C11D24 |
-87.58 |
3.62 |
-8.99 |
1.12 |
0 |
|
|
272556 |
103746768 |
1 |
ON2C10H22 |
AB2C10D22 |
-73.92 |
3.84 |
-8.93 |
1.06 |
0 |
|
|
272557 |
103746791 |
1 |
N4C13H24 |
A4B13C24 |
8.71 |
6.66 |
-9.25 |
0.82 |
0 |
|
|
272558 |
103746882 |
1 |
N2O5C14H18 |
A2B5C14D18 |
-121.25 |
5.49 |
-9.68 |
-1.59 |
0 |
|
|
272559 |
103746883 |
1 |
NF3O3C12H14 |
AB3C3D12E14 |
-275.59 |
5.09 |
-8.9 |
-0.18 |
0 |
|
|
272560 |
103746942 |
1 |
FON2C17H19 |
ABC2D17E19 |
-65.03 |
3.26 |
-9.38 |
-0.04 |
0 |
|
|
272561 |
103747059 |
1 |
BrOF2N2C13H15 |
ABC2D2E13F15 |
-115.0 |
4.0 |
-8.85 |
-1.15 |
0 |
|
|
272562 |
103747060 |
1 |
BrNF2O2C14H16 |
ABC2D2E14F16 |
-159.73 |
2.95 |
-9.56 |
-1.15 |
0 |
|
|
272563 |
103747109 |
1 |
NO2C17H31 |
AB2C17D31 |
-152.12 |
4.93 |
-9.6 |
1.34 |
0 |
|
|
272564 |
103747296 |
2 |
NOSC6H8 |
ABCD6E8 |
-76.3 |
7.11 |
-8.37 |
-0.49 |
0 |
|
|
272565 |
103747419 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-96.29 |
3.26 |
-9.27 |
-0.54 |
0 |
|
|
272566 |
103747526 |
1 |
ION2H13C17 |
ABC2D13E17 |
43.46 |
2.57 |
-8.78 |
-1.25 |
0 |
|
|
272567 |
103747944 |
1 |
FCl2N3H10C11 |
AB2C3D10E11 |
-5.26 |
3.29 |
-8.89 |
-0.34 |
0 |
|
|
272568 |
103747979 |
1 |
N2S2O4H22C23 |
A2B2C4D22E23 |
-94.05 |
6.54 |
-9.13 |
-0.82 |
0 |
|
|
272569 |
103748007 |
1 |
OSN2C12H20 |
ABC2D12E20 |
-43.54 |
2.33 |
-9.04 |
-0.17 |
0 |
|
|
272570 |
103748025 |
1 |
OSN2C14H22 |
ABC2D14E22 |
-16.32 |
1.99 |
-8.98 |
-0.3 |
0 |
|
|
272571 |
103748077 |
1 |
BrNOC14H20 |
ABCD14E20 |
-34.57 |
1.88 |
-9.16 |
0.02 |
0 |
|
|
272572 |
103748127 |
1 |
INO2C14H20 |
ABC2D14E20 |
-77.22 |
3.51 |
-9.56 |
-1.06 |
0 |
|
|
272573 |
103748166 |
1 |
ON2C16H26 |
AB2C16D26 |
-35.16 |
3.47 |
-8.58 |
0.3 |
0 |
|
|
272574 |
103748192 |
1 |
ClSN2C11H17 |
ABC2D11E17 |
15.95 |
0.77 |
-8.87 |
-0.4 |
0 |