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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
77552 |
49655396 |
1 |
ClN2O4H17C20 |
AB2C4D17E20 |
-107.28 |
5.26 |
-8.79 |
-0.9 |
0 |
|
|
77553 |
49655418 |
1 |
O4N5C13H21 |
A4B5C13D21 |
-98.12 |
3.15 |
-9.31 |
-1.27 |
0 |
|
|
77554 |
49655425 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-86.09 |
1.0 |
-9.12 |
-0.73 |
0 |
|
|
77555 |
49655430 |
1 |
ClFN4O4H20C22 |
ABC4D4E20F22 |
-137.02 |
8.92 |
-8.98 |
-0.64 |
0 |
|
|
77556 |
49655432 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-38.88 |
5.43 |
-9.03 |
-1.01 |
0 |
|
|
77557 |
49655434 |
1 |
SN2F3O4C18H19 |
AB2C3D4E18F19 |
-304.65 |
5.79 |
-9.66 |
-1.84 |
0 |
|
|
77558 |
49655435 |
1 |
FNO4H16C20 |
ABC4D16E20 |
-111.7 |
3.95 |
-9.3 |
-1.18 |
0 |
|
|
77559 |
49655440 |
1 |
SO2N5H17C18 |
AB2C5D17E18 |
38.86 |
8.43 |
-9.23 |
-1.72 |
0 |
|
|
77560 |
49655454 |
1 |
FO2N5C18H20 |
AB2C5D18E20 |
-66.77 |
4.43 |
-8.75 |
-0.44 |
0 |
|
|
77561 |
49655459 |
1 |
FON4H17C18 |
ABC4D17E18 |
24.88 |
4.09 |
-9.18 |
-0.77 |
0 |
|
|
77562 |
49655460 |
1 |
FO2N3H14C18 |
AB2C3D14E18 |
-48.53 |
4.41 |
-8.98 |
-1.07 |
0 |
|
|
77563 |
49655465 |
1 |
SO3N5C18H19 |
AB3C5D18E19 |
-5.07 |
8.21 |
-8.88 |
-1.65 |
0 |
|
|
77564 |
49655469 |
1 |
ClON7H16C19 |
ABC7D16E19 |
124.66 |
11.51 |
-9.38 |
-1.51 |
0 |
|
|
77565 |
49655486 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-59.2 |
11.27 |
-8.76 |
-0.83 |
0 |
|
|
77566 |
49655490 |
1 |
S2O3N5H11C12 |
A2B3C5D11E12 |
24.13 |
9.28 |
-9.09 |
-1.5 |
0 |
|
|
77567 |
49655496 |
1 |
N3O5H15C16 |
A3B5C15D16 |
-150.87 |
2.3 |
-9.09 |
-1.01 |
0 |
|
|
77568 |
49655509 |
1 |
Cl2O3N4H20C22 |
A2B3C4D20E22 |
-66.75 |
3.89 |
-8.96 |
-0.57 |
0 |
|
|
77569 |
49655514 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-113.74 |
5.9 |
-8.3 |
-0.84 |
0 |
|
|
77570 |
49655518 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-87.98 |
3.59 |
-8.85 |
-0.68 |
0 |
|
|
77571 |
49655519 |
1 |
SO2N4H16C20 |
AB2C4D16E20 |
19.66 |
4.14 |
-8.93 |
-1.03 |
0 |
|
|
77572 |
49655531 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-79.5 |
5.9 |
-9.19 |
-1.11 |
0 |
|
|
77573 |
49655533 |
1 |
OSN4C15H16 |
ABC4D15E16 |
32.41 |
4.6 |
-8.19 |
-1.26 |
0 |
|
|
77574 |
49655534 |
1 |
Cl2N2O3C19H22 |
A2B2C3D19E22 |
-116.64 |
13.89 |
-8.91 |
-0.58 |
0 |
|
|
77575 |
49655535 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-149.56 |
2.55 |
-8.99 |
-0.67 |
0 |
|
|
77576 |
49655540 |
1 |
N4O5C15H18 |
A4B5C15D18 |
-126.18 |
6.64 |
-9.1 |
-0.77 |
0 |
|
|
77577 |
49655543 |
1 |
ClN2O3C20H25 |
AB2C3D20E25 |
-134.17 |
8.37 |
-8.47 |
-0.14 |
0 |
|
|
77578 |
49655552 |
1 |
OSN4C17H24 |
ABC4D17E24 |
-31.08 |
5.73 |
-8.57 |
-0.41 |
0 |
|
|
77579 |
49655554 |
1 |
ClSO2N3H12C14 |
ABC2D3E12F14 |
-21.47 |
3.27 |
-8.55 |
-1.1 |
0 |
|
|
77580 |
49655555 |
1 |
BrN2O3C19H19 |
AB2C3D19E19 |
-64.51 |
5.92 |
-8.74 |
-0.4 |
0 |
|
|
77581 |
49655557 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-61.66 |
1.0 |
-8.72 |
-0.25 |
0 |
|
|
77582 |
49655559 |
1 |
FON5C15H18 |
ABC5D15E18 |
-5.53 |
3.63 |
-10.01 |
-0.62 |
0 |
|
|
77583 |
49655560 |
1 |
FSN3O4H14C18 |
ABC3D4E14F18 |
-54.96 |
9.03 |
-9.66 |
-1.51 |
0 |
|
|
77584 |
49655566 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-104.69 |
5.73 |
-8.32 |
-1.15 |
0 |
|
|
77585 |
49655571 |
1 |
ON4H10C13 |
AB4C10D13 |
46.45 |
0.63 |
-8.83 |
-0.86 |
0 |
|
|
77586 |
49655572 |
1 |
ClN2O6H19C21 |
AB2C6D19E21 |
-143.51 |
9.07 |
-8.99 |
-0.66 |
0 |
|
|
77587 |
49655579 |
1 |
SO3N4C16H18 |
AB3C4D16E18 |
-66.69 |
4.77 |
-8.88 |
-0.72 |
0 |
|
|
77588 |
49655580 |
1 |
N2O3H16C19 |
A2B3C16D19 |
-17.96 |
3.53 |
-8.82 |
-0.74 |
0 |
|
|
77589 |
49655581 |
1 |
F3N3O3C12H14 |
A3B3C3D12E14 |
-254.44 |
8.09 |
-9.73 |
-1.22 |
0 |
|
|
77590 |
49655582 |
1 |
ClFN2O2H14C18 |
ABC2D2E14F18 |
-48.44 |
3.75 |
-9.02 |
-0.84 |
0 |
|
|
77591 |
49658310 |
1 |
BrSN3O4C13H14 |
ABC3D4E13F14 |
-101.69 |
8.06 |
-8.69 |
-0.76 |
0 |
|
|
77592 |
49658318 |
1 |
FSN3O4C14H16 |
ABC3D4E14F16 |
-157.47 |
5.5 |
-8.64 |
-0.65 |
0 |
|
|
77593 |
49658321 |
1 |
SN3O4C16H21 |
AB3C4D16E21 |
-126.32 |
6.02 |
-8.37 |
-0.51 |
0 |
|
|
77594 |
49658323 |
1 |
SN3O4C19H25 |
AB3C4D19E25 |
-119.67 |
7.35 |
-9.23 |
-0.36 |
0 |
|
|
77595 |
49658325 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-91.99 |
6.73 |
-9.2 |
-0.45 |
0 |
|
|
77596 |
49658332 |
1 |
FSN4O4C17H21 |
ABC4D4E17F21 |
-143.87 |
4.92 |
-8.88 |
-0.47 |
0 |
|
|
77597 |
49658343 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-152.23 |
6.78 |
-8.32 |
-0.37 |
0 |
|
|
77598 |
49658349 |
1 |
ClSN4O4C18H23 |
ABC4D4E18F23 |
-119.29 |
6.05 |
-8.31 |
-0.56 |
0 |
|
|
77599 |
49658351 |
1 |
ClSN4O4C19H25 |
ABC4D4E19F25 |
-123.26 |
5.99 |
-8.64 |
-0.53 |
0 |
|
|
77600 |
49658354 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-116.46 |
4.25 |
-8.16 |
-0.41 |
0 |
|
|
77601 |
49658361 |
1 |
FSN2O3H19C23 |
ABC2D3E19F23 |
-56.8 |
7.94 |
-8.25 |
-1.04 |
0 |
|
|
77602 |
49658366 |
1 |
NO6C21H21 |
AB6C21D21 |
-188.0 |
2.28 |
-8.56 |
-0.04 |
0 |
|
|
77603 |
49658369 |
1 |
NO4C21H23 |
AB4C21D23 |
-133.03 |
4.83 |
-8.56 |
-0.05 |
0 |
|
|
77604 |
49658371 |
1 |
NF2O3H15C18 |
AB2C3D15E18 |
-170.78 |
7.42 |
-9.11 |
-0.33 |
0 |
|
|
77605 |
49658373 |
1 |
O3N4C27H28 |
A3B4C27D28 |
-46.52 |
1.23 |
-8.4 |
-1.22 |
0 |
|
|
77606 |
49658374 |
2 |
NO3H13C14 |
AB3C13D14 |
-155.02 |
2.64 |
-8.53 |
-1.22 |
0 |
|
|
77607 |
49658377 |
1 |
FN2O3H17C19 |
AB2C3D17E19 |
-121.51 |
6.3 |
-9.19 |
-1.28 |
0 |
|
|
77608 |
49658379 |
1 |
ClFN2O3H16C19 |
ABC2D3E16F19 |
-135.05 |
3.75 |
-9.19 |
-1.3 |
0 |
|
|
77609 |
49658382 |
1 |
FN2O3H19C20 |
AB2C3D19E20 |
-135.74 |
5.01 |
-9.07 |
-1.17 |
0 |
|
|
77610 |
49658383 |
1 |
F2N2O3H16C19 |
A2B2C3D16E19 |
-171.62 |
3.95 |
-9.14 |
-1.25 |
0 |
|
|
77611 |
49658388 |
1 |
FN2O3C21H21 |
AB2C3D21E21 |
-139.84 |
4.87 |
-9.06 |
-1.15 |
0 |
|
|
77612 |
49658399 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-97.75 |
5.72 |
-8.94 |
-0.92 |
0 |
|
|
77613 |
49658404 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-126.98 |
6.82 |
-8.96 |
-0.98 |
0 |
|
|
77614 |
49658405 |
2 |
NO2C8H10 |
AB2C8D10 |
-171.21 |
4.38 |
-8.84 |
-0.84 |
0 |
|
|
77615 |
49658406 |
1 |
SN2O3C19H20 |
AB2C3D19E20 |
-88.63 |
4.69 |
-9.01 |
-1.1 |
0 |
|
|
77616 |
49658407 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-88.35 |
4.01 |
-8.85 |
-0.88 |
0 |
|
|
77617 |
49658411 |
1 |
N2O5H20C21 |
A2B5C20D21 |
-152.83 |
6.54 |
-8.82 |
-0.91 |
0 |
|
|
77618 |
49658422 |
1 |
ClN3O3H20C22 |
AB3C3D20E22 |
-74.67 |
9.81 |
-8.79 |
-1.2 |
0 |
|
|
77619 |
49658426 |
1 |
ClN2O4H19C20 |
AB2C4D19E20 |
-127.79 |
7.23 |
-9.04 |
-1.08 |
0 |
|
|
77620 |
49658429 |
1 |
ClF2N2O3H15C19 |
AB2C2D3E15F19 |
-181.98 |
4.43 |
-9.2 |
-1.25 |
0 |
|
|
77621 |
49658433 |
1 |
ClN2O3H17C19 |
AB2C3D17E19 |
-89.6 |
5.46 |
-9.3 |
-1.16 |
0 |
|
|
77622 |
49658436 |
1 |
ClN2O5H17C20 |
AB2C5D17E20 |
-154.49 |
5.19 |
-9.19 |
-1.17 |
0 |
|
|
77623 |
49658441 |
1 |
ClN3O4C18H22 |
AB3C4D18E22 |
-151.94 |
4.65 |
-9.25 |
-1.08 |
0 |
|
|
77624 |
49658446 |
1 |
ClSN2O3H17C18 |
ABC2D3E17F18 |
-92.05 |
4.26 |
-9.26 |
-1.24 |
0 |
|
|
77625 |
49658450 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-98.14 |
5.46 |
-9.29 |
-1.14 |
0 |
|
|
77626 |
49658459 |
1 |
ClFN2O3H16C19 |
ABC2D3E16F19 |
-136.37 |
4.11 |
-9.13 |
-1.23 |
0 |
|
|
77627 |
49658470 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-77.13 |
6.69 |
-8.49 |
-0.8 |
0 |
|
|
77628 |
49658473 |
1 |
N2F3O3H15C19 |
A2B3C3D15E19 |
-233.16 |
6.98 |
-9.28 |
-1.05 |
0 |
|
|
77629 |
49658475 |
1 |
FN2O5H19C20 |
AB2C5D19E20 |
-192.38 |
6.64 |
-8.57 |
-1.19 |
0 |
|
|
77630 |
49658480 |
1 |
ClN3O3H18C21 |
AB3C3D18E21 |
-70.68 |
5.05 |
-8.59 |
-1.16 |
0 |
|
|
77631 |
49658483 |
1 |
ClN2O4H17C19 |
AB2C4D17E19 |
-119.87 |
7.02 |
-9.16 |
-1.23 |
0 |
|
|
77632 |
49658501 |
1 |
ClFSO2N5H13C19 |
ABCD2E5F13G19 |
9.57 |
6.77 |
-9.07 |
-1.51 |
0 |
|
|
77633 |
49658502 |
1 |
ClSO2N5H16C20 |
ABC2D5E16F20 |
44.84 |
7.81 |
-9.02 |
-1.5 |
0 |
|
|
77634 |
49658510 |
1 |
ClFSO2N5H13C19 |
ABCD2E5F13G19 |
8.35 |
5.17 |
-9.03 |
-1.56 |
0 |
|
|
77635 |
49658529 |
1 |
ClO2N7H18C22 |
AB2C7D18E22 |
106.48 |
4.87 |
-9.52 |
-1.3 |
0 |
|
|
77636 |
49658534 |
1 |
ClSO4N5H18C20 |
ABC4D5E18F20 |
-49.29 |
8.74 |
-9.2 |
-1.66 |
0 |
|
|
77637 |
49658540 |
1 |
ClSO4N5H20C21 |
ABC4D5E20F21 |
-54.49 |
4.43 |
-9.36 |
-1.83 |
0 |
|
|
77638 |
49658547 |
1 |
ClS2N3O3H20C21 |
AB2C3D3E20F21 |
-43.09 |
3.59 |
-8.44 |
-1.63 |
0 |
|
|
77639 |
49658550 |
1 |
S2N3O4C24H27 |
A2B3C4D24E27 |
-94.65 |
1.4 |
-8.25 |
-1.46 |
0 |
|
|
77640 |
49658552 |
1 |
S2N3O4C25H27 |
A2B3C4D25E27 |
-88.37 |
3.52 |
-8.22 |
-1.52 |
0 |
|
|
77641 |
49658556 |
1 |
S2N3O4C20H27 |
A2B3C4D20E27 |
-121.47 |
3.65 |
-8.29 |
-1.27 |
0 |
|
|
77642 |
49658559 |
1 |
S2N3O4C23H31 |
A2B3C4D23E31 |
-126.17 |
5.51 |
-8.01 |
-1.24 |
0 |
|
|
77643 |
49658563 |
1 |
FS2N3O4C23H24 |
AB2C3D4E23F24 |
-127.71 |
2.3 |
-8.23 |
-1.39 |
0 |
|
|
77644 |
49658565 |
1 |
SN2O5C24H24 |
AB2C5D24E24 |
-49.23 |
1.55 |
-8.74 |
-1.02 |
0 |
|
|
77645 |
49658567 |
1 |
N2O2S2H16C19 |
A2B2C2D16E19 |
66.09 |
1.16 |
-8.95 |
-1.18 |
0 |
|
|
77646 |
49658569 |
1 |
ClN2S2O4H15C20 |
AB2C2D4E15F20 |
-13.78 |
3.36 |
-8.89 |
-1.37 |
0 |
|
|
77647 |
49658570 |
1 |
SN2O4C24H24 |
AB2C4D24E24 |
-39.1 |
7.19 |
-9.27 |
-0.94 |
0 |
|
|
77648 |
49658571 |
1 |
SN2O4C25H26 |
AB2C4D25E26 |
-45.04 |
5.95 |
-9.37 |
-1.13 |
0 |
|
|
77649 |
49658574 |
1 |
S2N3O3H19C21 |
A2B3C3D19E21 |
23.0 |
6.06 |
-8.64 |
-1.79 |
0 |
|
|
77650 |
49658582 |
1 |
FS2N3O3H16C20 |
AB2C3D3E16F20 |
-14.81 |
5.92 |
-9.12 |
-1.82 |
0 |
|
|
77651 |
49658583 |
1 |
FS2N3O3H16C20 |
AB2C3D3E16F20 |
-17.35 |
4.81 |
-8.7 |
-1.92 |
0 |