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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
152489 |
56311426 |
1 |
ClO2N3C21H26 |
AB2C3D21E26 |
-45.66 |
3.84 |
-8.68 |
-0.52 |
0 |
|
|
152490 |
56311427 |
1 |
O4N5C27H41 |
A4B5C27D41 |
-177.43 |
6.83 |
-8.67 |
-0.41 |
0 |
|
|
152491 |
56311428 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-141.03 |
7.69 |
-8.63 |
-0.37 |
0 |
|
|
152492 |
56311430 |
1 |
O3N5C23H31 |
A3B5C23D31 |
-54.29 |
5.59 |
-8.78 |
-0.55 |
0 |
|
|
152493 |
56311431 |
1 |
FN2O2C20H23 |
AB2C2D20E23 |
-86.4 |
5.43 |
-8.37 |
-0.22 |
0 |
|
|
152494 |
56311432 |
4 |
NOC6H7 |
ABC6D7 |
-55.82 |
3.57 |
-8.53 |
-0.71 |
0 |
|
|
152495 |
56311433 |
1 |
O3N5C25H33 |
A3B5C25D33 |
-74.18 |
5.5 |
-8.44 |
-0.23 |
0 |
|
|
152496 |
56311435 |
1 |
SN3O3C23H29 |
AB3C3D23E29 |
-86.88 |
6.4 |
-8.26 |
-0.34 |
0 |
|
|
152497 |
56311436 |
1 |
Cl2N3O3C22H25 |
A2B3C3D22E25 |
-100.38 |
6.49 |
-8.44 |
-0.65 |
0 |
|
|
152498 |
56311437 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-134.5 |
5.81 |
-8.58 |
-0.34 |
0 |
|
|
152499 |
56311438 |
1 |
SN3O5C22H27 |
AB3C5D22E27 |
-167.26 |
5.14 |
-8.8 |
-0.73 |
0 |
|
|
152500 |
56311439 |
1 |
N4O5C27H32 |
A4B5C27D32 |
-169.79 |
4.43 |
-8.59 |
-0.72 |
0 |
|
|
152501 |
56311440 |
1 |
F2N3O6C22H25 |
A2B3C6D22E25 |
-226.89 |
5.1 |
-8.59 |
-1.39 |
0 |
|
|
152502 |
56311443 |
1 |
ClN3O3C22H26 |
AB3C3D22E26 |
-95.09 |
4.59 |
-8.58 |
-0.4 |
0 |
|
|
152503 |
56311445 |
1 |
SN4O4C21H26 |
AB4C4D21E26 |
-131.22 |
4.28 |
-8.6 |
-0.71 |
0 |
|
|
152504 |
56311446 |
1 |
ClO3N4C21H25 |
AB3C4D21E25 |
-78.4 |
4.77 |
-8.57 |
-0.7 |
0 |
|
|
152505 |
56311448 |
1 |
ClO3N4C22H23 |
AB3C4D22E23 |
-16.42 |
0.99 |
-8.66 |
-1.11 |
0 |
|
|
152506 |
56311449 |
1 |
SN3O5C24H35 |
AB3C5D24E35 |
-207.35 |
8.82 |
-8.61 |
-0.36 |
0 |
|
|
152507 |
56311450 |
1 |
SN4O5C23H30 |
AB4C5D23E30 |
-165.8 |
5.42 |
-8.59 |
-0.65 |
0 |
|
|
152508 |
56311451 |
1 |
O4N5C26H27 |
A4B5C26D27 |
-8.76 |
3.45 |
-8.54 |
-1.05 |
0 |
|
|
152509 |
56311452 |
1 |
FN3O3C21H24 |
AB3C3D21E24 |
-130.32 |
5.63 |
-8.64 |
-0.37 |
0 |
|
|
152510 |
56311453 |
1 |
IN3O3C21H24 |
AB3C3D21E24 |
-64.51 |
2.88 |
-8.61 |
-1.08 |
0 |
|
|
152511 |
56311454 |
1 |
N3O3C25H33 |
A3B3C25D33 |
-98.94 |
5.5 |
-8.45 |
-0.22 |
0 |
|
|
152512 |
56311455 |
1 |
FN2O3C21H25 |
AB2C3D21E25 |
-122.46 |
4.25 |
-8.5 |
-0.28 |
0 |
|
|
152513 |
56311456 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-49.47 |
4.03 |
-8.6 |
-0.34 |
0 |
|
|
152514 |
56311457 |
1 |
ClN3O4C23H28 |
AB3C4D23E28 |
-141.89 |
3.71 |
-8.5 |
-0.47 |
0 |
|
|
152515 |
56311458 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-131.21 |
4.64 |
-8.61 |
-0.35 |
0 |
|
|
152516 |
56311459 |
1 |
ClN4O5C22H25 |
AB4C5D22E25 |
-94.39 |
7.45 |
-8.76 |
-1.63 |
0 |
|
|
152517 |
56311462 |
1 |
N4O6C23H28 |
A4B6C23D28 |
-128.26 |
4.17 |
-8.52 |
-1.61 |
0 |
|
|
152518 |
56311463 |
1 |
N4O6C23H28 |
A4B6C23D28 |
-130.96 |
3.92 |
-8.51 |
-1.65 |
0 |
|
|
152519 |
56311464 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-94.25 |
6.73 |
-8.7 |
-1.28 |
0 |
|
|
152520 |
56311466 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-100.22 |
5.66 |
-8.62 |
-1.47 |
0 |
|
|
152521 |
56311468 |
1 |
N5O5C21H27 |
A5B5C21D27 |
-184.13 |
7.31 |
-8.3 |
-0.64 |
0 |
|
|
152522 |
56311472 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-15.87 |
5.82 |
-8.31 |
-0.94 |
0 |
|
|
152523 |
56311475 |
1 |
SO2N6C24H24 |
AB2C6D24E24 |
38.13 |
2.59 |
-8.37 |
-0.96 |
0 |
|
|
152524 |
56311476 |
1 |
SO2N4H22C24 |
AB2C4D22E24 |
46.42 |
4.48 |
-8.32 |
-0.9 |
0 |
|
|
152525 |
56311477 |
1 |
S2O3N4C25H28 |
A2B3C4D25E28 |
-56.93 |
5.77 |
-8.3 |
-0.91 |
0 |
|
|
152526 |
56311479 |
1 |
FN2O2C19H27 |
AB2C2D19E27 |
-130.32 |
3.52 |
-8.44 |
0.04 |
0 |
|
|
152527 |
56311480 |
2 |
ON2C14H19 |
AB2C14D19 |
-33.76 |
6.05 |
-8.66 |
0.15 |
0 |
|
|
152528 |
56311482 |
1 |
ON3C22H31 |
AB3C22D31 |
0.98 |
5.31 |
-9.17 |
0.35 |
0 |
|
|
152529 |
56311483 |
1 |
ON2C24H30 |
AB2C24D30 |
26.44 |
3.42 |
-9.09 |
0.16 |
0 |
|
|
152530 |
56311484 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-93.08 |
3.34 |
-8.37 |
-0.58 |
0 |
|
|
152531 |
56311485 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-107.3 |
3.86 |
-9.04 |
0.11 |
0 |
|
|
152532 |
56311486 |
1 |
N3O5C24H35 |
A3B5C24D35 |
-223.56 |
5.52 |
-8.63 |
0.0 |
0 |
|
|
152533 |
56311487 |
1 |
F2N3O3C24H29 |
A2B3C3D24E29 |
-192.99 |
5.29 |
-8.64 |
-0.43 |
0 |
|
|
152534 |
56311488 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-96.07 |
3.22 |
-8.38 |
0.08 |
0 |
|
|
152535 |
56311489 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-93.44 |
0.83 |
-8.36 |
-0.5 |
0 |
|
|
152536 |
56311490 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-80.03 |
7.55 |
-8.93 |
-0.36 |
0 |
|
|
152537 |
56311491 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-27.4 |
1.58 |
-8.35 |
-1.0 |
0 |
|
|
152538 |
56311492 |
1 |
ClO3N4C21H25 |
AB3C4D21E25 |
-87.01 |
4.1 |
-8.83 |
-0.7 |
0 |
|
|
152539 |
56311493 |
1 |
N2O5C25H28 |
A2B5C25D28 |
-164.19 |
7.08 |
-8.58 |
-0.96 |
0 |
|
|
152540 |
56311494 |
1 |
FN2O3C22H27 |
AB2C3D22E27 |
-134.67 |
2.3 |
-8.67 |
-0.08 |
0 |
|
|
152541 |
56311495 |
1 |
ClN3O3C23H28 |
AB3C3D23E28 |
-108.88 |
3.93 |
-8.67 |
-0.2 |
0 |
|
|
152542 |
56311497 |
1 |
N3O5C23H33 |
A3B5C23D33 |
-212.83 |
4.11 |
-8.57 |
-0.09 |
0 |
|
|
152543 |
56311498 |
1 |
O3N4C22H32 |
A3B4C22D32 |
-104.67 |
8.72 |
-8.73 |
-0.27 |
0 |
|
|
152544 |
56311499 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-66.35 |
7.81 |
-8.57 |
-0.78 |
0 |
|
|
152545 |
56311500 |
1 |
F2N2O2C21H24 |
A2B2C2D21E24 |
-153.56 |
1.37 |
-9.02 |
-0.26 |
0 |
|
|
152546 |
56311501 |
1 |
BrSO2N4C20H21 |
ABC2D4E20F21 |
33.89 |
2.22 |
-9.21 |
-1.26 |
0 |
|
|
152547 |
56311503 |
1 |
SO2N6C22H24 |
AB2C6D22E24 |
21.3 |
2.77 |
-9.15 |
-1.54 |
0 |
|
|
152548 |
56311504 |
1 |
FO2N4C25H31 |
AB2C4D25E31 |
-84.39 |
2.22 |
-8.99 |
-0.31 |
0 |
|
|
152549 |
56311505 |
2 |
ON3C12H16 |
AB3C12D16 |
-31.98 |
4.46 |
-8.75 |
-0.36 |
0 |
|
|
152550 |
56311506 |
1 |
O2N4C25H28 |
A2B4C25D28 |
-25.48 |
2.08 |
-8.81 |
-0.81 |
0 |
|
|
152551 |
56311507 |
1 |
O3N4C27H34 |
A3B4C27D34 |
-95.45 |
3.82 |
-9.19 |
-0.34 |
0 |
|
|
152552 |
56311508 |
1 |
Cl2O2N3C22H25 |
A2B2C3D22E25 |
-67.55 |
4.46 |
-8.87 |
-0.62 |
0 |
|
|
152553 |
56311509 |
1 |
Cl2O2N3C22H25 |
A2B2C3D22E25 |
-71.71 |
2.76 |
-9.11 |
-0.65 |
0 |
|
|
152554 |
56311510 |
1 |
FO2N5C25H28 |
AB2C5D25E28 |
-49.55 |
5.74 |
-8.95 |
-0.63 |
0 |
|
|
152555 |
56311511 |
1 |
SO4N5C23H31 |
AB4C5D23E31 |
-128.28 |
2.68 |
-9.11 |
0.04 |
0 |
|
|
152556 |
56311512 |
1 |
F3N3O3C23H26 |
A3B3C3D23E26 |
-255.88 |
4.52 |
-9.16 |
-0.56 |
0 |
|
|
152557 |
56311513 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-49.7 |
5.38 |
-9.22 |
-1.56 |
0 |
|
|
152558 |
56311514 |
1 |
Cl2O2N3C22H25 |
A2B2C3D22E25 |
-67.79 |
1.56 |
-9.18 |
-0.55 |
0 |
|
|
152559 |
56311515 |
4 |
NOC6H7 |
ABC6D7 |
-56.92 |
5.93 |
-9.27 |
-1.27 |
0 |
|
|
152560 |
56311516 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-127.1 |
5.07 |
-9.21 |
-0.67 |
0 |
|
|
152561 |
56311517 |
1 |
O2F3N3C23H26 |
A2B3C3D23E26 |
-215.06 |
2.29 |
-9.14 |
-0.7 |
0 |
|
|
152562 |
56311518 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-16.25 |
7.99 |
-9.01 |
-1.37 |
0 |
|
|
152563 |
56311520 |
1 |
ClO3N4C22H25 |
AB3C4D22E25 |
-74.24 |
3.49 |
-9.08 |
-0.74 |
0 |
|
|
152564 |
56311521 |
1 |
N3O3C28H33 |
A3B3C28D33 |
-73.0 |
8.64 |
-8.44 |
-0.47 |
0 |
|
|
152565 |
56311522 |
1 |
N3O4C26H33 |
A3B4C26D33 |
-122.48 |
5.01 |
-8.3 |
0.11 |
0 |
|
|
152566 |
56311523 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-139.23 |
4.58 |
-8.2 |
-0.08 |
0 |
|
|
152567 |
56311524 |
1 |
ClN2O3C23H27 |
AB2C3D23E27 |
-90.38 |
6.4 |
-8.84 |
-0.19 |
0 |
|
|
152568 |
56311528 |
1 |
Cl2O2N3C21H23 |
A2B2C3D21E23 |
-63.66 |
3.0 |
-9.15 |
-0.52 |
0 |
|
|
152569 |
56311529 |
1 |
SN4O4C25H34 |
AB4C4D25E34 |
-140.57 |
3.56 |
-9.22 |
-0.54 |
0 |
|
|
152570 |
56311530 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-52.05 |
6.5 |
-8.63 |
0.11 |
0 |
|
|
152571 |
56311531 |
1 |
IO2N3C21H24 |
AB2C3D21E24 |
-31.59 |
1.68 |
-8.95 |
-0.79 |
0 |
|
|
152572 |
56311532 |
1 |
O2N3C23H35 |
A2B3C23D35 |
-108.24 |
5.95 |
-8.92 |
0.08 |
0 |
|
|
152573 |
56311538 |
1 |
N3O3C29H33 |
A3B3C29D33 |
-62.67 |
8.42 |
-8.6 |
-0.07 |
0 |
|
|
152574 |
56311540 |
1 |
BrFSN2C17H20 |
ABCD2E17F20 |
17.07 |
2.7 |
-8.75 |
-0.34 |
0 |
|
|
152575 |
56311541 |
1 |
BrFON4C21H22 |
ABCD4E21F22 |
19.01 |
3.87 |
-8.89 |
-1.11 |
0 |
|
|
152576 |
56311542 |
1 |
FO4N5C21H28 |
AB4C5D21E28 |
-179.7 |
7.08 |
-9.02 |
-0.15 |
0 |
|
|
152577 |
56311543 |
1 |
ClFN3O3C22H25 |
ABC3D3E22F25 |
-120.66 |
1.77 |
-8.38 |
-0.21 |
0 |
|
|
152578 |
56311544 |
1 |
FO2N3C23H30 |
AB2C3D23E30 |
-90.19 |
2.71 |
-8.81 |
0.03 |
0 |
|
|
152579 |
56311547 |
1 |
FON3C24H26 |
ABC3D24E26 |
-23.9 |
4.09 |
-8.42 |
-0.45 |
0 |
|
|
152580 |
56311548 |
1 |
N2O3C27H36 |
A2B3C27D36 |
-102.81 |
4.46 |
-8.71 |
0.16 |
0 |
|
|
152581 |
56311549 |
1 |
O2N3C26H35 |
A2B3C26D35 |
-53.11 |
0.66 |
-8.15 |
0.24 |
0 |
|
|
152582 |
56311550 |
1 |
SN4O5C24H34 |
AB4C5D24E34 |
-151.86 |
3.23 |
-8.61 |
-0.52 |
0 |
|
|
152583 |
56311551 |
1 |
N2O4C25H34 |
A2B4C25D34 |
-146.64 |
4.67 |
-8.26 |
0.09 |
0 |
|
|
152584 |
56311554 |
1 |
N2O3C24H32 |
A2B3C24D32 |
-101.46 |
5.46 |
-8.58 |
0.06 |
0 |
|
|
152585 |
56311555 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-52.51 |
3.65 |
-8.7 |
0.16 |
0 |
|
|
152586 |
56311556 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-42.98 |
4.17 |
-8.47 |
-0.29 |
0 |
|
|
152587 |
56311557 |
1 |
N5O5C24H35 |
A5B5C24D35 |
-162.96 |
2.79 |
-8.69 |
-0.69 |
0 |
|
|
152588 |
56311558 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-81.5 |
4.84 |
-8.36 |
-0.18 |
0 |