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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
65451 |
38671679 |
1 |
BrN2O4H17C20 |
AB2C4D17E20 |
-74.14 |
3.94 |
-8.96 |
-0.84 |
0 |
|
|
65452 |
38671680 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-59.85 |
3.81 |
-8.91 |
-0.91 |
0 |
|
|
65453 |
38671681 |
1 |
BrN2O5H17C20 |
AB2C5D17E20 |
-131.13 |
3.2 |
-8.46 |
-1.3 |
0 |
|
|
65454 |
38671682 |
1 |
O2N3F5H8C15 |
A2B3C5D8E15 |
-210.57 |
5.94 |
-10.35 |
-1.44 |
0 |
|
|
65455 |
38671685 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-14.82 |
6.09 |
-9.17 |
-1.16 |
0 |
|
|
65456 |
38671687 |
1 |
ClN2O2H19C22 |
AB2C2D19E22 |
4.14 |
4.53 |
-8.93 |
-0.41 |
0 |
|
|
65457 |
38671688 |
1 |
N4O5C24H28 |
A4B5C24D28 |
-136.95 |
6.44 |
-8.85 |
-0.86 |
0 |
|
|
65458 |
38671694 |
1 |
SO3N5H19C21 |
AB3C5D19E21 |
-11.88 |
4.72 |
-8.85 |
-1.09 |
0 |
|
|
65459 |
38671698 |
1 |
N4O5H18C19 |
A4B5C18D19 |
-109.16 |
8.32 |
-8.46 |
-1.51 |
0 |
|
|
65460 |
38671702 |
2 |
OSN2C8H9 |
ABC2D8E9 |
13.54 |
4.34 |
-8.53 |
-1.08 |
0 |
|
|
65461 |
38671703 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-99.28 |
6.27 |
-8.86 |
-0.53 |
0 |
|
|
65462 |
38671707 |
1 |
SO3N4C18H20 |
AB3C4D18E20 |
-24.63 |
5.13 |
-8.55 |
-0.55 |
0 |
|
|
65463 |
38671714 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-67.49 |
4.77 |
-9.18 |
-0.79 |
0 |
|
|
65464 |
38671725 |
1 |
O3N4H26C29 |
A3B4C26D29 |
8.03 |
8.44 |
-8.79 |
-0.92 |
0 |
|
|
65465 |
38671732 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-53.41 |
4.11 |
-8.99 |
-0.53 |
0 |
|
|
65466 |
38671736 |
1 |
BrSN3O3H20C23 |
ABC3D3E20F23 |
-38.14 |
2.57 |
-9.04 |
-1.09 |
0 |
|
|
65467 |
38671747 |
1 |
F3N3O3H20C21 |
A3B3C3D20E21 |
-193.21 |
5.14 |
-9.61 |
-1.14 |
0 |
|
|
65468 |
38671763 |
1 |
O2N3C23H23 |
A2B3C23D23 |
17.82 |
3.95 |
-8.97 |
-0.16 |
0 |
|
|
65469 |
38671772 |
1 |
SF2N2O4H16C20 |
AB2C2D4E16F20 |
-168.61 |
3.46 |
-9.03 |
-1.41 |
0 |
|
|
65470 |
38671793 |
1 |
SN2F3O5C17H19 |
AB2C3D5E17F19 |
-318.89 |
7.39 |
-9.56 |
-0.74 |
0 |
|
|
65471 |
38671794 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-95.61 |
2.57 |
-9.09 |
-0.67 |
0 |
|
|
65472 |
38671827 |
1 |
SO4N5H17C21 |
AB4C5D17E21 |
0.21 |
5.81 |
-9.1 |
-1.16 |
0 |
|
|
65473 |
38671828 |
1 |
N3O3H21C22 |
A3B3C21D22 |
-48.98 |
4.72 |
-8.77 |
-0.6 |
0 |
|
|
65474 |
38671831 |
1 |
SN4O4C25H34 |
AB4C4D25E34 |
-120.33 |
4.84 |
-9.29 |
-0.48 |
0 |
|
|
65475 |
38671836 |
1 |
SN2O5C19H24 |
AB2C5D19E24 |
-157.62 |
6.11 |
-9.48 |
-0.8 |
0 |
|
|
65476 |
38671841 |
1 |
SN2O5C19H24 |
AB2C5D19E24 |
-158.94 |
2.95 |
-9.63 |
-0.86 |
0 |
|
|
65477 |
38671852 |
1 |
O3N4H24C26 |
A3B4C24D26 |
-39.74 |
4.18 |
-8.82 |
-1.13 |
0 |
|
|
65478 |
46371223 |
1 |
N2O5C18H28 |
A2B5C18D28 |
-204.46 |
4.28 |
-8.75 |
-0.19 |
0 |
|
|
65479 |
46386541 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-2.27 |
4.38 |
-8.94 |
-0.95 |
0 |
|
|
65480 |
46386542 |
1 |
FN3O3H20C25 |
AB3C3D20E25 |
-45.77 |
5.72 |
-9.0 |
-1.06 |
0 |
|
|
65481 |
46386543 |
1 |
N3O4H27C28 |
A3B4C27D28 |
-50.7 |
7.22 |
-8.72 |
-1.02 |
0 |
|
|
65482 |
46386544 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-6.94 |
6.14 |
-8.99 |
-1.0 |
0 |
|
|
65483 |
46386545 |
1 |
N3O3H21C25 |
A3B3C21D25 |
1.99 |
3.57 |
-8.92 |
-0.98 |
0 |
|
|
65484 |
46386546 |
1 |
ClN3O3H20C25 |
AB3C3D20E25 |
-8.84 |
5.71 |
-8.98 |
-1.04 |
0 |
|
|
65485 |
46386547 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-8.33 |
5.86 |
-9.08 |
-1.07 |
0 |
|
|
65486 |
46386548 |
1 |
N3O5H21C26 |
A3B5C21D26 |
-61.57 |
5.84 |
-8.88 |
-0.95 |
0 |
|
|
65487 |
46386549 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-8.04 |
5.22 |
-8.97 |
-1.01 |
0 |
|
|
65488 |
46386550 |
1 |
N3O5H25C27 |
A3B5C25D27 |
-81.56 |
6.69 |
-8.61 |
-1.01 |
0 |
|
|
65489 |
46386551 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-39.66 |
4.73 |
-8.8 |
-1.06 |
0 |
|
|
65490 |
46386552 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-39.8 |
2.33 |
-8.77 |
-1.03 |
0 |
|
|
65491 |
46386553 |
1 |
N3O3H19C21 |
A3B3C19D21 |
-1.9 |
4.33 |
-9.13 |
-1.16 |
0 |
|
|
65492 |
46386554 |
3 |
NOC7H7 |
ABC7D7 |
-34.43 |
4.66 |
-8.88 |
-0.95 |
0 |
|
|
65493 |
46386555 |
1 |
N3O3C24H25 |
A3B3C24D25 |
-34.26 |
4.67 |
-8.87 |
-0.91 |
0 |
|
|
65494 |
46386556 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-34.41 |
2.44 |
-9.06 |
-0.9 |
0 |
|
|
65495 |
46386557 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-41.95 |
4.18 |
-9.07 |
-0.97 |
0 |
|
|
65496 |
46386558 |
1 |
N3O5H21C26 |
A3B5C21D26 |
-64.46 |
4.37 |
-8.34 |
-1.08 |
0 |
|
|
65497 |
46386559 |
1 |
N3O5H19C25 |
A3B5C19D25 |
-55.42 |
4.55 |
-8.45 |
-1.12 |
0 |
|
|
65498 |
46386560 |
1 |
N3O4H21C25 |
A3B4C21D25 |
-32.11 |
7.15 |
-8.65 |
-1.24 |
0 |
|
|
65499 |
46386561 |
1 |
N3O3H19C24 |
A3B3C19D24 |
7.93 |
3.25 |
-8.84 |
-1.05 |
0 |
|
|
65500 |
46386562 |
1 |
N3O3H21C25 |
A3B3C21D25 |
-2.37 |
4.33 |
-8.77 |
-1.06 |
0 |
|
|
65501 |
46386563 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-9.68 |
0.75 |
-8.5 |
-0.99 |
0 |
|
|
65502 |
46386564 |
2 |
N2O2H13C14 |
A2B2C13D14 |
-30.81 |
4.53 |
-8.02 |
-1.02 |
0 |
|
|
65503 |
46386565 |
1 |
O3N4C30H30 |
A3B4C30D30 |
-3.54 |
4.73 |
-8.98 |
-0.98 |
0 |
|
|
65504 |
46386566 |
1 |
N3O5H23C26 |
A3B5C23D26 |
-66.46 |
3.4 |
-8.45 |
-1.0 |
0 |
|
|
65505 |
46386567 |
1 |
F2N3O3H17C24 |
A2B3C3D17E24 |
-89.48 |
6.26 |
-9.26 |
-1.17 |
0 |
|
|
65506 |
46386568 |
1 |
N3O3H21C25 |
A3B3C21D25 |
-0.87 |
5.58 |
-8.52 |
-1.03 |
0 |
|
|
65507 |
46386569 |
1 |
ClFN3O3H17C24 |
ABC3D3E17F24 |
-47.69 |
4.74 |
-9.12 |
-1.17 |
0 |
|
|
65508 |
46386570 |
1 |
N3O3H25C28 |
A3B3C25D28 |
-6.9 |
5.11 |
-9.24 |
-1.08 |
0 |
|
|
65509 |
46386571 |
1 |
ClN3O3H18C24 |
AB3C3D18E24 |
-1.8 |
4.97 |
-8.88 |
-1.15 |
0 |
|
|
65510 |
46386572 |
1 |
N3O4H21C25 |
A3B4C21D25 |
-30.62 |
2.96 |
-8.31 |
-0.99 |
0 |
|
|
65511 |
46386573 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-4.3 |
5.87 |
-8.4 |
-0.87 |
0 |
|
|
65512 |
46386574 |
1 |
ClN3O4H20C25 |
AB3C4D20E25 |
-38.98 |
6.56 |
-8.44 |
-1.27 |
0 |
|
|
65513 |
46386575 |
1 |
ClN3O4H20C25 |
AB3C4D20E25 |
-39.97 |
6.55 |
-8.63 |
-1.16 |
0 |
|
|
65514 |
46386576 |
1 |
N3O3H25C27 |
A3B3C25D27 |
-10.99 |
4.26 |
-9.03 |
-1.08 |
0 |
|
|
65515 |
46386577 |
1 |
SN3O3H23C26 |
AB3C3D23E26 |
6.43 |
4.71 |
-8.7 |
-0.9 |
0 |
|
|
65516 |
46386578 |
1 |
N3O3H23C26 |
A3B3C23D26 |
0.63 |
4.56 |
-9.08 |
-0.97 |
0 |
|
|
65517 |
46386579 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-3.95 |
3.97 |
-9.07 |
-1.17 |
0 |
|
|
65518 |
46386580 |
1 |
N3O3H21C25 |
A3B3C21D25 |
6.26 |
4.94 |
-9.14 |
-1.0 |
0 |
|
|
65519 |
46386581 |
1 |
ClN3O3H20C25 |
AB3C3D20E25 |
-3.4 |
1.89 |
-8.95 |
-1.02 |
0 |
|
|
65520 |
46386582 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-35.84 |
6.92 |
-8.98 |
-0.92 |
0 |
|
|
65521 |
46386583 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-42.26 |
4.08 |
-9.2 |
-1.17 |
0 |
|
|
65522 |
46386584 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-43.22 |
4.74 |
-9.27 |
-1.09 |
0 |
|
|
65523 |
46386585 |
1 |
N3O3H19C21 |
A3B3C19D21 |
-6.53 |
6.17 |
-9.22 |
-1.09 |
0 |
|
|
65524 |
46386586 |
3 |
NOC7H7 |
ABC7D7 |
-40.14 |
3.79 |
-9.12 |
-1.05 |
0 |
|
|
65525 |
46386587 |
3 |
NOC7H7 |
ABC7D7 |
-37.35 |
4.41 |
-9.23 |
-1.09 |
0 |
|
|
65526 |
46386588 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-45.37 |
3.74 |
-9.2 |
-1.07 |
0 |
|
|
65527 |
46386589 |
1 |
N3O4C23H23 |
A3B4C23D23 |
-75.44 |
4.55 |
-9.23 |
-1.06 |
0 |
|
|
65528 |
46386590 |
1 |
N3O3C24H25 |
A3B3C24D25 |
-47.48 |
4.04 |
-9.22 |
-1.09 |
0 |
|
|
65529 |
46386591 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-40.87 |
5.3 |
-9.24 |
-1.12 |
0 |
|
|
65530 |
46386592 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-47.11 |
1.95 |
-9.01 |
-0.93 |
0 |
|
|
65531 |
46386593 |
1 |
N3O3C26H27 |
A3B3C26D27 |
-34.36 |
4.79 |
-9.23 |
-1.08 |
0 |
|
|
65532 |
46386594 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-49.32 |
5.13 |
-9.14 |
-1.1 |
0 |
|
|
65533 |
46386595 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-12.23 |
2.39 |
-8.64 |
-1.25 |
0 |
|
|
65534 |
46386596 |
1 |
N3O3H21C25 |
A3B3C21D25 |
-6.57 |
6.05 |
-8.66 |
-1.21 |
0 |
|
|
65535 |
46386597 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-18.44 |
4.19 |
-8.68 |
-1.14 |
0 |
|
|
65536 |
46386598 |
1 |
ClN3O3H20C25 |
AB3C3D20E25 |
-16.36 |
3.73 |
-8.79 |
-1.15 |
0 |
|
|
65537 |
46386599 |
1 |
FN3O3H18C24 |
AB3C3D18E24 |
-46.84 |
4.36 |
-9.15 |
-1.26 |
0 |
|
|
65538 |
46386600 |
1 |
ClN3O3H18C24 |
AB3C3D18E24 |
-8.26 |
6.71 |
-9.09 |
-1.29 |
0 |
|
|
65539 |
46386601 |
1 |
N3O3H19C24 |
A3B3C19D24 |
2.32 |
5.19 |
-8.85 |
-1.17 |
0 |
|
|
65540 |
46386602 |
1 |
N3O3H25C27 |
A3B3C25D27 |
-16.17 |
4.43 |
-8.61 |
-1.14 |
0 |
|
|
65541 |
46386603 |
1 |
N3O3H23C26 |
A3B3C23D26 |
-16.63 |
4.5 |
-8.49 |
-1.18 |
0 |
|
|
65542 |
46386604 |
1 |
N3O4H21C25 |
A3B4C21D25 |
-35.86 |
5.14 |
-8.44 |
-1.12 |
0 |
|
|
65543 |
46386605 |
1 |
BrN3O3H18C24 |
AB3C3D18E24 |
4.11 |
5.66 |
-9.13 |
-1.27 |
0 |
|
|
65544 |
46386606 |
1 |
FN3O3H18C24 |
AB3C3D18E24 |
-44.74 |
5.16 |
-8.98 |
-1.31 |
0 |
|
|
65545 |
46386607 |
1 |
N3O4H21C24 |
A3B4C21D24 |
-43.53 |
4.58 |
-9.19 |
-1.2 |
0 |
|
|
65546 |
46386608 |
1 |
N3O5H23C26 |
A3B5C23D26 |
-72.99 |
6.14 |
-8.13 |
-1.16 |
0 |
|
|
65547 |
46386609 |
1 |
F2N3O3H17C24 |
A2B3C3D17E24 |
-95.62 |
7.24 |
-9.28 |
-1.37 |
0 |
|
|
65548 |
46386610 |
1 |
N3O3H21C25 |
A3B3C21D25 |
-7.66 |
5.18 |
-8.56 |
-1.2 |
0 |
|
|
65549 |
46386611 |
1 |
ClFN3O3H17C24 |
ABC3D3E17F24 |
-53.51 |
5.3 |
-9.16 |
-1.33 |
0 |
|
|
65550 |
46386613 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-42.78 |
3.87 |
-9.04 |
-1.05 |
0 |