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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
383584 |
134975380 |
2 |
O2N3C11H13 |
A2B3C11D13 |
-60.75 |
1.38 |
-10.22 |
-1.57 |
0 |
|
|
383585 |
134975381 |
1 |
SC23H28 |
AB23C28 |
19.16 |
1.07 |
-8.44 |
-0.26 |
0 |
|
|
383586 |
134975383 |
1 |
O4C17H24 |
A4B17C24 |
-152.59 |
4.48 |
-9.78 |
0.55 |
0 |
|
|
383587 |
134975384 |
1 |
O3C17H22 |
A3B17C22 |
-104.39 |
2.58 |
-8.41 |
1.22 |
0 |
|
|
383588 |
134975386 |
1 |
O5C17H22 |
A5B17C22 |
-132.78 |
3.06 |
-8.66 |
-0.14 |
0 |
|
|
383589 |
134975388 |
1 |
BrN8C26H45 |
AB8C26D45 |
40.0 |
6.25 |
-8.04 |
0.1 |
0 |
|
|
383590 |
134975389 |
1 |
NO3C21H25 |
AB3C21D25 |
-84.65 |
5.54 |
-8.84 |
-0.07 |
0 |
|
|
383591 |
134975390 |
1 |
SO3N5C35H35 |
AB3C5D35E35 |
23.32 |
10.46 |
-8.74 |
-0.5 |
0 |
|
|
383592 |
134975391 |
2 |
O2C6H11 |
A2B6C11 |
-210.0 |
4.8 |
-10.34 |
-0.06 |
0 |
|
|
383593 |
134975392 |
1 |
O6C17H30 |
A6B17C30 |
-322.82 |
5.77 |
-9.66 |
0.76 |
0 |
|
|
383594 |
134975393 |
1 |
O7C30H52 |
A7B30C52 |
-397.45 |
8.04 |
-9.24 |
1.97 |
0 |
|
|
383595 |
134975394 |
2 |
O3C14H25 |
A3B14C25 |
-334.88 |
8.19 |
-9.9 |
0.66 |
0 |
|
|
383596 |
134975395 |
1 |
N2O12C27H28 |
A2B12C27D28 |
-459.31 |
8.85 |
-9.13 |
-1.96 |
0 |
|
|
383597 |
134975397 |
1 |
NO5C14H25 |
AB5C14D25 |
-264.35 |
2.94 |
-9.76 |
0.53 |
0 |
|
|
383598 |
134975399 |
1 |
NO6C34H41 |
AB6C34D41 |
-225.28 |
1.96 |
-9.41 |
0.03 |
0 |
|
|
383599 |
134975400 |
1 |
O2N4H10C11 |
A2B4C10D11 |
66.07 |
9.08 |
-9.28 |
-1.34 |
0 |
|
|
383600 |
134975403 |
1 |
BrNPdO2H12C16 |
ABCD2E12F16 |
21.25 |
6.65 |
-8.48 |
-1.55 |
0 |
|
|
383601 |
134975404 |
1 |
NPdO2H11C16 |
ABC2D11E16 |
58.64 |
2.42 |
-7.6 |
-0.53 |
0 |
|
|
383602 |
134975405 |
1 |
NO2H13C16 |
AB2C13D16 |
-4.89 |
2.86 |
-9.51 |
-0.73 |
-1 |
|
|
383604 |
134975409 |
1 |
O2N4H14C15 |
A2B4C14D15 |
70.89 |
8.96 |
-9.06 |
-1.1 |
0 |
|
|
383605 |
134975410 |
1 |
SN4C10H10 |
AB4C10D10 |
100.5 |
5.76 |
-8.5 |
-1.29 |
0 |
|
|
383606 |
134975413 |
1 |
NPS2O3C8H14 |
ABC2D3E8F14 |
-153.95 |
6.88 |
-8.78 |
-0.94 |
1 |
|
|
383607 |
134975415 |
1 |
NSO2C13H14 |
ABC2D13E14 |
-49.42 |
2.8 |
0.0 |
0.0 |
0 |
|
|
383608 |
134975416 |
1 |
INOSC9H10 |
ABCDE9F10 |
-3.29 |
5.09 |
-8.24 |
-1.26 |
0 |
|
|
383609 |
134975417 |
1 |
SeN2C8H8 |
AB2C8D8 |
50.73 |
1.96 |
-8.56 |
-0.44 |
0 |
|
|
383610 |
134975418 |
1 |
TeO2C8H10 |
AB2C8D10 |
-50.56 |
5.45 |
-8.48 |
-0.38 |
0 |
|
|
383611 |
134975423 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-37.27 |
4.09 |
-8.94 |
-0.42 |
0 |
|
|
383612 |
134975424 |
2 |
NC6H7 |
AB6C7 |
45.29 |
3.06 |
-9.17 |
0.38 |
0 |
|
|
383613 |
134975425 |
1 |
BrIN2O2C8H10 |
ABC2D2E8F10 |
-33.15 |
2.71 |
-9.35 |
-1.4 |
0 |
|
|
383614 |
134975426 |
1 |
OSeH12C13 |
ABC12D13 |
-17.71 |
3.4 |
-8.67 |
-0.62 |
0 |
|
|
383615 |
134975427 |
1 |
LiN2C11H13 |
AB2C11D13 |
54.28 |
10.05 |
-7.02 |
1.31 |
0 |
|
|
383616 |
134975428 |
1 |
SeF3O4C9H9 |
AB3C4D9E9 |
-334.1 |
6.24 |
-9.67 |
-1.61 |
0 |
|
|
383617 |
134975429 |
1 |
ClS3O4C6H9 |
AB3C4D6E9 |
14.41 |
11.42 |
-9.17 |
-3.26 |
0 |
|
|
383618 |
134975430 |
1 |
Cl2O2C11H12 |
A2B2C11D12 |
-92.83 |
3.96 |
-9.45 |
-0.61 |
0 |
|
|
383619 |
134975431 |
1 |
NO2C15H19 |
AB2C15D19 |
-67.07 |
4.05 |
-8.06 |
-0.1 |
0 |
|
|
383620 |
134975432 |
1 |
ClSO6C7H9 |
ABC6D7E9 |
-80.82 |
8.06 |
-9.38 |
-3.95 |
0 |
|
|
383621 |
134975435 |
1 |
ClS2O4C9H9 |
AB2C4D9E9 |
26.38 |
7.24 |
-9.23 |
-4.46 |
0 |
|
|
383622 |
134975436 |
1 |
NO4C13H13 |
AB4C13D13 |
-92.41 |
3.73 |
-9.76 |
-1.1 |
0 |
|
|
383623 |
134975437 |
1 |
NOC15H19 |
ABC15D19 |
-11.85 |
2.48 |
-8.98 |
-0.19 |
0 |
|
|
383624 |
134975438 |
1 |
SO2N3H9C10 |
AB2C3D9E10 |
-16.83 |
6.38 |
-8.78 |
-0.84 |
0 |
|
|
383625 |
134975441 |
1 |
OSCl2N2H4C10 |
ABC2D2E4F10 |
49.4 |
3.64 |
-9.63 |
-1.69 |
0 |
|
|
383626 |
134975442 |
1 |
NNa2S3H5C9 |
AB2C3D5E9 |
-14.37 |
11.12 |
-6.4 |
-0.51 |
0 |
|
|
383627 |
134975443 |
1 |
SO2N4C11H20 |
AB2C4D11E20 |
33.11 |
9.84 |
-8.1 |
-0.8 |
0 |
|
|
383628 |
134975444 |
1 |
O2N3C7H11 |
A2B3C7D11 |
-57.02 |
0.87 |
-8.95 |
-0.24 |
0 |
|
|
383629 |
134975445 |
1 |
TeBr2O2H6C9 |
AB2C2D6E9 |
-59.84 |
7.31 |
-9.16 |
-2.59 |
0 |
|
|
383630 |
134975446 |
1 |
TeO2H10C11 |
AB2C10D11 |
-52.21 |
1.93 |
-8.38 |
-1.16 |
0 |
|
|
383631 |
134975448 |
2 |
NC7H7 |
AB7C7 |
48.76 |
7.1 |
-8.56 |
-0.36 |
0 |
|
|
383632 |
134975451 |
1 |
OS2C10H12 |
AB2C10D12 |
-49.23 |
4.35 |
-8.16 |
-0.97 |
0 |
|
|
383633 |
134975452 |
1 |
OS2H10C12 |
AB2C10D12 |
2.43 |
3.21 |
-8.42 |
-1.38 |
0 |
|
|
383634 |
134975453 |
1 |
ClS3O5C8H9 |
AB3C5D8E9 |
-13.12 |
14.0 |
-10.01 |
-3.18 |
0 |
|
|
383635 |
134975461 |
1 |
ClSN3C7H8 |
ABC3D7E8 |
24.06 |
3.53 |
-9.32 |
-1.02 |
0 |
|
|
383636 |
134975462 |
1 |
NOSC13H15 |
ABCD13E15 |
0.57 |
4.51 |
-9.28 |
-0.43 |
0 |
|
|
383637 |
134975464 |
1 |
SN2C8H10 |
AB2C8D10 |
69.4 |
3.46 |
-8.38 |
-0.49 |
0 |
|
|
383638 |
134975470 |
2 |
SeH5C8 |
AB5C8 |
69.24 |
0.02 |
-8.55 |
-1.04 |
0 |
|
|
383639 |
134975478 |
1 |
NS2H11C12 |
AB2C11D12 |
47.17 |
3.87 |
-8.09 |
-0.84 |
0 |
|
|
383640 |
134975479 |
1 |
N2S3H12C13 |
A2B3C12D13 |
47.44 |
3.15 |
-8.49 |
-1.59 |
0 |
|
|
383641 |
134975482 |
1 |
SN2O6C8H8 |
AB2C6D8E8 |
-137.07 |
8.19 |
-10.12 |
-1.85 |
0 |
|
|
383642 |
134975483 |
1 |
BrSN2O4C7H7 |
ABC2D4E7F7 |
-58.54 |
3.34 |
-10.31 |
-2.24 |
0 |
|
|
383643 |
134975485 |
1 |
NOSCl2C10H11 |
ABCD2E10F11 |
-22.76 |
2.98 |
-7.6 |
-1.49 |
0 |
|
|
383644 |
134975493 |
1 |
ClNOH10C15 |
ABCD10E15 |
27.72 |
2.89 |
-8.91 |
-0.91 |
0 |
|
|
383645 |
134975494 |
1 |
ClTeI2O2H5C9 |
ABC2D2E5F9 |
-34.91 |
6.65 |
-9.24 |
-3.12 |
0 |
|
|
383646 |
134975495 |
1 |
ClS2H9C10 |
AB2C9D10 |
23.21 |
5.75 |
-8.87 |
-1.89 |
0 |
|
|
383647 |
134975496 |
1 |
BrCl2S2H5C9 |
AB2C2D5E9 |
43.92 |
5.01 |
-9.23 |
-2.35 |
1 |
|
|
383648 |
134975498 |
1 |
SF3O3H6C11 |
AB3C3D6E11 |
-220.57 |
2.06 |
0.0 |
0.0 |
0 |
|
|
383649 |
134975499 |
1 |
LiON2C13H15 |
ABC2D13E15 |
-9.82 |
8.85 |
-7.76 |
0.34 |
0 |
|
|
383650 |
134975500 |
1 |
NO2C14H17 |
AB2C14D17 |
-55.91 |
2.41 |
-8.37 |
0.13 |
0 |
|
|
383651 |
134975501 |
1 |
FNSeS2O4C7H10 |
ABCD2E4F7G10 |
-174.96 |
4.16 |
-8.81 |
-1.22 |
0 |
|
|
383652 |
134975502 |
1 |
H3N3O5C7 |
A3B3C5D7 |
47.7 |
6.08 |
-10.71 |
-2.68 |
0 |
|
|
383653 |
134975503 |
1 |
S2N3O3C7H9 |
A2B3C3D7E9 |
-56.51 |
4.01 |
-8.91 |
-0.57 |
1 |
|
|
383654 |
134975505 |
1 |
NO2S2F3C7H7 |
AB2C2D3E7F7 |
-212.9 |
5.48 |
0.0 |
0.0 |
0 |
|
|
383655 |
134975506 |
1 |
SeN3C9H9 |
AB3C9D9 |
88.41 |
0.46 |
-8.36 |
-0.48 |
0 |
|
|
383656 |
134975507 |
1 |
SeN3C12H15 |
AB3C12D15 |
68.51 |
3.06 |
-8.0 |
-0.19 |
0 |
|
|
383657 |
134975509 |
2 |
SN2H5C6 |
AB2C5D6 |
125.77 |
4.58 |
-9.43 |
-1.8 |
0 |
|
|
383658 |
134975511 |
1 |
AgClN2C5H6 |
ABC2D5E6 |
46.13 |
4.08 |
-8.12 |
-4.1 |
0 |
|
|
383659 |
134975512 |
1 |
SeC10H10 |
AB10C10 |
18.57 |
1.84 |
-8.18 |
-0.17 |
0 |
|
|
383660 |
134975513 |
1 |
ClOTeBr2H5C9 |
ABCD2E5F9 |
-10.39 |
5.7 |
-9.48 |
-2.44 |
0 |
|
|
383661 |
134975514 |
1 |
NTeH9C14 |
ABC9D14 |
69.23 |
2.86 |
-7.8 |
-0.76 |
0 |
|
|
383662 |
134975515 |
1 |
GeI2N8H16C32 |
AB2C8D16E32 |
463.31 |
12.5 |
-7.83 |
-2.97 |
0 |
|
|
383663 |
134975516 |
1 |
S5C11H14 |
A5B11C14 |
26.21 |
3.49 |
-8.07 |
-1.81 |
0 |
|
|
383664 |
134975517 |
1 |
ClNS2O4C8H12 |
ABC2D4E8F12 |
17.99 |
15.15 |
-8.56 |
-3.07 |
0 |
|
|
383665 |
134975519 |
1 |
NOC14H17 |
ABC14D17 |
-27.49 |
5.95 |
-8.6 |
-0.28 |
0 |
|
|
383666 |
134975520 |
1 |
OCl2N2S2H6C11 |
AB2C2D2E6F11 |
36.99 |
7.66 |
-9.58 |
-1.73 |
0 |
|
|
383667 |
134975521 |
1 |
NSO2C10H17 |
ABC2D10E17 |
-92.17 |
4.03 |
-8.34 |
-0.26 |
0 |
|
|
383668 |
134975522 |
1 |
N2O2F3H5C6 |
A2B2C3D5E6 |
-176.73 |
8.22 |
-10.14 |
-0.84 |
0 |
|
|
383669 |
134975523 |
1 |
ClNSO3C8H8 |
ABCD3E8F8 |
-101.58 |
6.56 |
-10.04 |
-2.0 |
0 |
|
|
383670 |
134975525 |
1 |
SN3O3C9H15 |
AB3C3D9E15 |
-23.16 |
7.7 |
-9.27 |
-1.63 |
0 |
|
|
383671 |
134975526 |
1 |
ClOSN2C6H7 |
ABCD2E6F7 |
-22.45 |
2.35 |
-9.05 |
-0.65 |
0 |
|
|
383672 |
134975527 |
1 |
ClISN2C10H12 |
ABCD2E10F12 |
22.59 |
5.08 |
-7.94 |
-1.21 |
0 |
|
|
383675 |
134975534 |
1 |
AgBrN2C5H6 |
ABC2D5E6 |
55.47 |
3.83 |
-8.12 |
-4.06 |
0 |
|
|
383676 |
134975535 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-109.31 |
5.5 |
-9.16 |
-0.01 |
0 |
|
|
383678 |
134975538 |
1 |
OTeBr2H6C8 |
ABC2D6E8 |
-27.78 |
2.57 |
-9.01 |
-2.28 |
0 |
|
|
383679 |
134975539 |
2 |
ClSeH3C7 |
ABC3D7 |
42.87 |
0.62 |
-8.6 |
-1.05 |
0 |
|
|
383680 |
134975541 |
1 |
TeO2Br3H5C9 |
AB2C3D5E9 |
-55.07 |
6.72 |
-9.68 |
-2.73 |
0 |
|
|
383681 |
134975543 |
1 |
ClNOS2C13H14 |
ABCD2E13F14 |
-9.09 |
6.61 |
-8.4 |
-1.48 |
0 |
|
|
383682 |
134975544 |
1 |
S3H10C12 |
A3B10C12 |
45.72 |
3.14 |
-8.36 |
-1.72 |
0 |
|
|
383683 |
134975545 |
2 |
BrNOH2C4 |
ABCD2E4 |
39.23 |
6.42 |
-9.54 |
-1.49 |
1 |
|
|
383684 |
134975546 |
1 |
O3H5C7 |
A3B5C7 |
-63.46 |
2.52 |
0.0 |
0.0 |
0 |
|
|
383687 |
134975550 |
2 |
NC8H12 |
AB8C12 |
34.44 |
3.33 |
-9.32 |
-0.24 |
0 |
|
|
383688 |
134975551 |
1 |
NO2C13H15 |
AB2C13D15 |
-35.65 |
0.6 |
-8.88 |
-0.38 |
0 |
|
|
383689 |
134975552 |
1 |
NO3C13H13 |
AB3C13D13 |
-74.19 |
2.61 |
-9.9 |
-0.9 |
0 |