List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373492 |
131316050 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-11.85 |
4.82 |
-9.37 |
-1.69 |
0 |
|
|
373493 |
131316056 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-13.08 |
7.1 |
-9.47 |
-1.39 |
0 |
|
|
373494 |
131316061 |
1 |
SN2O2C4H6 |
AB2C2D4E6 |
-39.76 |
3.31 |
-10.72 |
0.02 |
0 |
|
|
373495 |
131316070 |
1 |
ClON2C11H11 |
ABC2D11E11 |
-6.95 |
5.84 |
-8.99 |
-0.61 |
0 |
|
|
373496 |
131316072 |
1 |
ClON2C11H11 |
ABC2D11E11 |
-10.73 |
5.27 |
-8.92 |
-0.36 |
0 |
|
|
373497 |
131316103 |
1 |
BrFN2H6C12 |
ABC2D6E12 |
38.72 |
3.83 |
-10.23 |
-1.51 |
0 |
|
|
373498 |
131316123 |
1 |
BrNSF2H6C11 |
ABCD2E6F11 |
-31.37 |
2.55 |
-9.29 |
-1.25 |
0 |
|
|
373499 |
131316178 |
1 |
ClSO2H9C11 |
ABC2D9E11 |
-66.44 |
6.02 |
-9.06 |
-1.47 |
0 |
|
|
373500 |
131316193 |
2 |
N2C4H5 |
A2B4C5 |
65.71 |
8.22 |
-10.2 |
-1.22 |
0 |
|
|
373501 |
131316219 |
1 |
BrFOSH10C11 |
ABCDE10F11 |
-52.58 |
4.22 |
-8.45 |
-1.0 |
0 |
|
|
373502 |
131316221 |
1 |
BrFOSH10C11 |
ABCDE10F11 |
-52.12 |
1.77 |
-8.44 |
-0.88 |
0 |
|
|
373503 |
131316243 |
1 |
BrNOSH10C11 |
ABCDE10F11 |
-0.28 |
3.55 |
-8.78 |
-1.16 |
0 |
|
|
373504 |
131316247 |
1 |
ClSN2F3H14C15 |
ABC2D3E14F15 |
-98.18 |
4.83 |
-9.54 |
-1.41 |
0 |
|
|
373505 |
131316248 |
1 |
ClSN2C16H19 |
ABC2D16E19 |
46.35 |
2.34 |
-9.14 |
-0.56 |
0 |
|
|
373506 |
131316256 |
1 |
OCl3H7C8 |
AB3C7D8 |
-48.44 |
2.89 |
-9.24 |
-0.71 |
0 |
|
|
373507 |
131316257 |
1 |
OCl3H7C8 |
AB3C7D8 |
-47.98 |
1.73 |
-9.06 |
-0.58 |
0 |
|
|
373508 |
131316261 |
1 |
NO3C11H11 |
AB3C11D11 |
-72.74 |
7.45 |
-9.27 |
-1.07 |
0 |
|
|
373509 |
131316291 |
1 |
ION2C9H9 |
ABC2D9E9 |
28.69 |
6.7 |
-8.87 |
-0.98 |
0 |
|
|
373510 |
131316299 |
1 |
INO3C9H10 |
ABC3D9E10 |
-93.85 |
5.75 |
-8.76 |
-1.23 |
0 |
|
|
373511 |
131316325 |
1 |
N2O4H8C9 |
A2B4C8D9 |
-35.7 |
5.97 |
-10.31 |
-1.69 |
0 |
|
|
373512 |
131316333 |
1 |
N5H7C10 |
A5B7C10 |
113.51 |
2.61 |
-9.49 |
-1.18 |
0 |
|
|
373513 |
131316342 |
1 |
ON2C12H12 |
AB2C12D12 |
13.52 |
4.68 |
-8.79 |
-0.29 |
0 |
|
|
373514 |
131316380 |
1 |
SN2O2H8C11 |
AB2C2D8E11 |
6.07 |
7.61 |
-9.66 |
-1.66 |
0 |
|
|
373515 |
131316384 |
1 |
BrN3H6C10 |
AB3C6D10 |
98.29 |
5.72 |
-9.81 |
-1.0 |
0 |
|
|
373516 |
131316401 |
1 |
BrON2H5C9 |
ABC2D5E9 |
28.11 |
5.29 |
-8.99 |
-1.04 |
0 |
|
|
373517 |
131316426 |
1 |
OF2N2H6C8 |
AB2C2D6E8 |
-69.87 |
6.5 |
-8.98 |
-1.06 |
0 |
|
|
373518 |
131316431 |
1 |
NO2C11H15 |
AB2C11D15 |
-80.26 |
2.52 |
-8.74 |
0.18 |
0 |
|
|
373519 |
131316439 |
2 |
NO2C5H6 |
AB2C5D6 |
-76.42 |
6.4 |
-9.69 |
-1.27 |
0 |
|
|
373520 |
131316446 |
1 |
FO2N3C10H10 |
AB2C3D10E10 |
-11.55 |
5.1 |
-9.27 |
-0.52 |
0 |
|
|
373521 |
131316447 |
1 |
SO2H5N5C7 |
AB2C5D5E7 |
47.6 |
4.18 |
-10.29 |
-2.65 |
0 |
|
|
373522 |
131316481 |
1 |
OC9H16 |
AB9C16 |
-48.3 |
3.65 |
-9.87 |
-0.24 |
0 |
|
|
373523 |
131316489 |
1 |
ON3C8H13 |
AB3C8D13 |
-18.0 |
3.69 |
-9.39 |
-0.19 |
0 |
|
|
373524 |
131316493 |
1 |
ON3C12H21 |
AB3C12D21 |
-34.69 |
3.58 |
-9.0 |
0.65 |
0 |
|
|
373525 |
131316509 |
1 |
NOC14H19 |
ABC14D19 |
-21.16 |
2.15 |
-8.71 |
0.37 |
0 |
|
|
373526 |
131316511 |
2 |
N2C6H9 |
A2B6C9 |
42.42 |
4.41 |
-8.08 |
0.65 |
0 |
|
|
373527 |
131316517 |
1 |
ClNSO3C5H10 |
ABCD3E5F10 |
-132.35 |
4.43 |
-9.82 |
-1.24 |
0 |
|
|
373528 |
131316518 |
1 |
BrFNC12H15 |
ABCD12E15 |
-24.23 |
3.12 |
-9.23 |
-0.44 |
0 |
|
|
373529 |
131316520 |
1 |
ON3C12H21 |
AB3C12D21 |
-27.29 |
4.74 |
-8.78 |
0.34 |
0 |
|
|
373530 |
131316539 |
1 |
BrOSN3H6C8 |
ABCD3E6F8 |
48.82 |
4.06 |
-9.2 |
-0.95 |
0 |
|
|
373531 |
131316542 |
1 |
SO3H4N4C5 |
AB3C4D4E5 |
-52.45 |
5.07 |
-9.1 |
-1.56 |
0 |
|
|
373532 |
131316554 |
1 |
BrNOC13H14 |
ABCD13E14 |
7.99 |
2.36 |
-9.1 |
-0.29 |
0 |
|
|
373533 |
131316580 |
1 |
FO2N3C10H10 |
AB2C3D10E10 |
-28.42 |
8.71 |
-8.92 |
-1.72 |
0 |
|
|
373534 |
131316585 |
1 |
ClNOC12H12 |
ABCD12E12 |
-14.02 |
6.31 |
-9.58 |
-0.61 |
0 |
|
|
373535 |
131316587 |
1 |
F3N3H8C9 |
A3B3C8D9 |
-109.83 |
3.87 |
-9.15 |
-0.62 |
0 |
|
|
373536 |
131316604 |
1 |
N4H6C9 |
A4B6C9 |
94.46 |
3.0 |
-9.1 |
-1.5 |
0 |
|
|
373537 |
131316609 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
4.86 |
4.37 |
-9.2 |
-1.67 |
0 |
|
|
373538 |
131316625 |
1 |
NOCl2C11H15 |
ABC2D11E15 |
-56.92 |
3.54 |
-9.35 |
-0.35 |
0 |
|
|
373539 |
131316675 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
-7.69 |
4.33 |
-9.57 |
-1.58 |
0 |
|
|
373540 |
131316676 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
-8.68 |
4.43 |
-9.49 |
-2.15 |
0 |
|
|
373541 |
131316690 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-62.32 |
6.58 |
-9.53 |
-1.55 |
0 |
|
|
373542 |
131316700 |
1 |
ClON3C10H10 |
ABC3D10E10 |
25.67 |
2.27 |
-8.49 |
-0.64 |
0 |
|
|
373543 |
131316747 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-135.76 |
5.51 |
-9.32 |
-1.62 |
0 |
|
|
373544 |
131316774 |
1 |
ClSO3H9C11 |
ABC3D9E11 |
-97.75 |
7.79 |
-9.17 |
-1.1 |
0 |
|
|
373545 |
131316777 |
1 |
ClSO3H9C11 |
ABC3D9E11 |
-99.67 |
8.38 |
-9.25 |
-1.38 |
0 |
|
|
373546 |
131316845 |
1 |
ClNO2F3C9H9 |
ABC2D3E9F9 |
-224.93 |
2.06 |
-9.64 |
-0.93 |
0 |
|
|
373547 |
131316856 |
1 |
ClSN2H5C11 |
ABC2D5E11 |
94.87 |
1.07 |
-9.41 |
-1.88 |
0 |
|
|
373548 |
131316879 |
1 |
ClSN2H5C11 |
ABC2D5E11 |
95.29 |
4.81 |
-9.45 |
-1.82 |
0 |
|
|
373549 |
131316886 |
1 |
ON3H9C11 |
AB3C9D11 |
43.47 |
3.97 |
-9.74 |
-1.46 |
0 |
|
|
373550 |
131316888 |
1 |
BrN2O2C11H13 |
AB2C2D11E13 |
-75.7 |
3.09 |
-8.57 |
-0.5 |
0 |
|
|
373551 |
131316950 |
1 |
N2F3H3O3C7 |
A2B3C3D3E7 |
-149.6 |
2.37 |
-11.28 |
-2.68 |
0 |
|
|
373552 |
131316962 |
1 |
BrFNOH9C10 |
ABCDE9F10 |
-41.17 |
4.71 |
-9.49 |
-0.64 |
0 |
|
|
373553 |
131316989 |
1 |
BrISO2H6C10 |
ABCD2E6F10 |
-27.27 |
4.36 |
-9.36 |
-1.58 |
0 |
|
|
373554 |
131317012 |
1 |
ClNOH2F6C7 |
ABCD2E6F7 |
-322.65 |
1.96 |
-10.67 |
-1.55 |
0 |
|
|
373555 |
131317015 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-85.47 |
2.73 |
-9.64 |
-0.27 |
0 |
|
|
373556 |
131317028 |
1 |
IN2O2F3H4C8 |
AB2C2D3E4F8 |
-158.56 |
2.49 |
-9.98 |
-1.62 |
0 |
|
|
373557 |
131317058 |
1 |
BrOS2C12H13 |
ABC2D12E13 |
-7.84 |
3.15 |
-8.34 |
-0.71 |
0 |
|
|
373558 |
131317113 |
1 |
ON3H5C8 |
AB3C5D8 |
49.14 |
6.29 |
-9.1 |
-1.18 |
0 |
|
|
373559 |
131317114 |
1 |
ON3H5C8 |
AB3C5D8 |
54.14 |
2.48 |
-9.64 |
-1.28 |
0 |
|
|
373560 |
131317130 |
1 |
FON2C12H13 |
ABC2D12E13 |
-52.47 |
3.09 |
-9.94 |
-1.08 |
0 |
|
|
373561 |
131317202 |
2 |
FNH2O2C4 |
ABC2D2E4 |
-128.09 |
4.63 |
-10.29 |
-2.11 |
0 |
|
|
373562 |
131317275 |
2 |
NOSC5H5 |
ABCD5E5 |
-6.91 |
4.49 |
-8.28 |
-1.49 |
0 |
|
|
373563 |
131317276 |
1 |
BrFN2O2C10H12 |
ABC2D2E10F12 |
-119.89 |
6.15 |
-9.43 |
-0.94 |
0 |
|
|
373564 |
131317325 |
1 |
ClSN2H3O5C7 |
ABC2D3E5F7 |
-59.78 |
9.34 |
-11.03 |
-2.42 |
0 |
|
|
373565 |
131317330 |
1 |
ClSN2H3O5C7 |
ABC2D3E5F7 |
-63.52 |
3.78 |
-11.11 |
-2.92 |
0 |
|
|
373566 |
131317335 |
1 |
ClSN2H3O5C7 |
ABC2D3E5F7 |
-51.21 |
9.41 |
-10.81 |
-2.37 |
0 |
|
|
373567 |
131317350 |
1 |
ClNOC13H14 |
ABCD13E14 |
-24.58 |
1.24 |
-9.27 |
-0.94 |
0 |
|
|
373568 |
131317368 |
1 |
OCl2F3H3C8 |
AB2C3D3E8 |
-176.95 |
2.13 |
-10.46 |
-1.83 |
0 |
|
|
373569 |
131317383 |
1 |
O3F4H6C9 |
A3B4C6D9 |
-317.41 |
2.97 |
-10.13 |
-1.62 |
0 |
|
|
373570 |
131317428 |
1 |
ClON2H5C7 |
ABC2D5E7 |
-0.64 |
4.34 |
-9.04 |
-0.86 |
0 |
|
|
373571 |
131317431 |
1 |
ClFN2H4C7 |
ABC2D4E7 |
-3.16 |
7.28 |
-9.22 |
-0.81 |
0 |
|
|
373572 |
131317449 |
1 |
ClNSO2C10H10 |
ABCD2E10F10 |
-73.8 |
5.21 |
-9.16 |
-1.23 |
0 |
|
|
373573 |
131317454 |
1 |
ON4C7H10 |
AB4C7D10 |
65.21 |
4.2 |
-10.61 |
-0.56 |
0 |
|
|
373574 |
131317465 |
1 |
ClINSH7C11 |
ABCDE7F11 |
70.85 |
1.94 |
-9.08 |
-1.21 |
0 |
|
|
373575 |
131317466 |
1 |
ClINSH7C11 |
ABCDE7F11 |
70.09 |
3.08 |
-9.07 |
-1.32 |
0 |
|
|
373576 |
131317468 |
1 |
ClINSH7C11 |
ABCDE7F11 |
71.98 |
3.19 |
-9.09 |
-1.33 |
0 |
|
|
373577 |
131317474 |
1 |
BrClSO2H6C10 |
ABCD2E6F10 |
-50.72 |
6.03 |
-9.32 |
-1.56 |
0 |
|
|
373578 |
131317479 |
1 |
BrClSO2H6C10 |
ABCD2E6F10 |
-50.57 |
4.43 |
-9.41 |
-1.43 |
0 |
|
|
373579 |
131317488 |
1 |
BrON2F4H5C7 |
ABC2D4E5F7 |
-227.56 |
3.33 |
-9.07 |
-0.91 |
0 |
|
|
373580 |
131317495 |
1 |
BrON2F4H5C7 |
ABC2D4E5F7 |
-225.81 |
4.41 |
-9.13 |
-0.88 |
0 |
|
|
373581 |
131317496 |
1 |
BrClSO2H6C10 |
ABCD2E6F10 |
-51.39 |
5.02 |
-9.37 |
-1.56 |
0 |
|
|
373582 |
131317500 |
1 |
BrNSF2H4C10 |
ABCD2E4F10 |
-27.47 |
4.06 |
-9.44 |
-1.5 |
0 |
|
|
373583 |
131317505 |
1 |
BrNSF2H4C10 |
ABCD2E4F10 |
-23.63 |
6.32 |
-9.49 |
-1.76 |
0 |
|
|
373584 |
131317513 |
1 |
BrNSF2H4C10 |
ABCD2E4F10 |
-20.7 |
5.89 |
-9.4 |
-1.5 |
0 |
|
|
373585 |
131317520 |
1 |
ClNF3C11H11 |
ABC3D11E11 |
-142.67 |
4.44 |
-9.39 |
-0.92 |
0 |
|
|
373586 |
131317529 |
1 |
ON2C12H12 |
AB2C12D12 |
14.96 |
5.43 |
-8.95 |
-0.17 |
0 |
|
|
373587 |
131317548 |
1 |
SO4H8C11 |
AB4C8D11 |
-111.88 |
2.86 |
-8.77 |
-1.24 |
0 |
|
|
373588 |
131317550 |
1 |
BrN3O3H8C9 |
AB3C3D8E9 |
-82.33 |
7.15 |
-9.29 |
-1.05 |
0 |
|
|
373589 |
131317567 |
1 |
ClNO3C11H14 |
ABC3D11E14 |
-110.88 |
3.56 |
-8.82 |
-0.41 |
0 |
|
|
373590 |
131317581 |
1 |
NOC11H15 |
ABC11D15 |
-32.5 |
4.77 |
-8.32 |
0.12 |
0 |
|
|
373591 |
131317615 |
1 |
BrClNSH2F3O4C6 |
ABCDE2F3G4H6 |
-285.54 |
4.04 |
-10.19 |
-2.26 |
0 |