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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78552 |
49693597 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-91.78 |
6.7 |
-9.36 |
-0.35 |
0 |
|
|
78553 |
49693601 |
1 |
ClS2N3O4C14H16 |
AB2C3D4E14F16 |
-80.14 |
7.36 |
-9.32 |
-1.64 |
0 |
|
|
78554 |
49693602 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-24.63 |
6.9 |
-9.33 |
-0.13 |
0 |
|
|
78555 |
49693603 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-90.05 |
10.95 |
-8.96 |
-0.95 |
0 |
|
|
78556 |
49693607 |
1 |
SO2N3H13C15 |
AB2C3D13E15 |
21.35 |
6.05 |
-9.09 |
-0.85 |
0 |
|
|
78557 |
49693609 |
1 |
SN4O4H10C14 |
AB4C4D10E14 |
31.03 |
2.12 |
-9.26 |
-2.14 |
0 |
|
|
78558 |
49693619 |
2 |
SN2O2C10H12 |
AB2C2D10E12 |
-66.12 |
4.09 |
-9.15 |
-1.48 |
0 |
|
|
78559 |
49693620 |
1 |
SO2N4H10C15 |
AB2C4D10E15 |
65.85 |
2.15 |
-9.23 |
-1.68 |
0 |
|
|
78560 |
49693621 |
1 |
SN3O3H13C16 |
AB3C3D13E16 |
-8.5 |
5.8 |
-9.13 |
-1.49 |
0 |
|
|
78561 |
49693622 |
2 |
SN2O2H4C6 |
AB2C2D4E6 |
36.69 |
3.86 |
-9.44 |
-2.41 |
0 |
|
|
78562 |
49693623 |
1 |
SN4O4H12C16 |
AB4C4D12E16 |
41.07 |
3.99 |
-9.19 |
-1.86 |
0 |
|
|
78563 |
49693624 |
1 |
O2S2N4H10C15 |
A2B2C4D10E15 |
62.46 |
5.49 |
-9.14 |
-1.8 |
0 |
|
|
78564 |
49693626 |
1 |
BrO2S2N3H8C12 |
AB2C2D3E8F12 |
47.22 |
4.33 |
-9.14 |
-1.68 |
0 |
|
|
78565 |
49693628 |
1 |
S2N4O5C20H22 |
A2B4C5D20E22 |
-97.15 |
3.58 |
-9.22 |
-1.53 |
0 |
|
|
78566 |
49693629 |
1 |
SCl2O2N3H9C14 |
AB2C2D3E9F14 |
15.88 |
4.7 |
-9.19 |
-1.48 |
0 |
|
|
78567 |
49693630 |
2 |
SN2O2C11H14 |
AB2C2D11E14 |
-74.15 |
9.55 |
-9.35 |
-1.35 |
0 |
|
|
78568 |
49693631 |
1 |
S2N4O4H20C23 |
A2B4C4D20E23 |
-21.84 |
3.14 |
-8.68 |
-1.6 |
0 |
|
|
78569 |
49693632 |
1 |
SN4O4H12C17 |
AB4C4D12E17 |
-38.75 |
2.4 |
-9.35 |
-1.51 |
0 |
|
|
78570 |
49693635 |
1 |
SN3O4H13C16 |
AB3C4D13E16 |
-49.52 |
3.42 |
-9.15 |
-1.61 |
0 |
|
|
78571 |
49693636 |
1 |
S2N4O4H20C23 |
A2B4C4D20E23 |
-18.99 |
2.5 |
-9.18 |
-1.5 |
0 |
|
|
78572 |
49693643 |
2 |
SN2O2C10H11 |
AB2C2D10E11 |
-56.88 |
1.78 |
-9.31 |
-1.37 |
0 |
|
|
78573 |
49693654 |
2 |
SN2O2C11H14 |
AB2C2D11E14 |
-75.87 |
5.19 |
-9.19 |
-1.43 |
0 |
|
|
78574 |
49693658 |
1 |
S2N4O4C21H24 |
A2B4C4D21E24 |
-63.12 |
3.32 |
-9.2 |
-1.53 |
0 |
|
|
78575 |
49693660 |
1 |
SO2N3H13C15 |
AB2C3D13E15 |
20.02 |
2.82 |
-9.41 |
-0.64 |
0 |
|
|
78576 |
49693665 |
1 |
O2S2N3H15C16 |
A2B2C3D15E16 |
24.28 |
5.31 |
-9.07 |
-1.04 |
0 |
|
|
78577 |
49693675 |
1 |
ClS3N4O4H15C16 |
AB3C4D4E15F16 |
-43.58 |
9.24 |
-9.03 |
-1.73 |
0 |
|
|
78578 |
49693676 |
1 |
O2S2N3C17H17 |
A2B2C3D17E17 |
19.6 |
5.64 |
-9.03 |
-0.46 |
0 |
|
|
78579 |
49693686 |
1 |
FS2N4O4C19H19 |
AB2C4D4E19F19 |
-102.12 |
6.07 |
-9.05 |
-0.96 |
0 |
|
|
78580 |
49693700 |
1 |
SO2N5C13H13 |
AB2C5D13E13 |
39.75 |
8.34 |
-9.01 |
-0.6 |
0 |
|
|
78581 |
49693706 |
1 |
ClSO2N3H12C15 |
ABC2D3E12F15 |
18.69 |
7.35 |
-9.36 |
-0.89 |
0 |
|
|
78582 |
49693707 |
1 |
ClSO2N3H12C15 |
ABC2D3E12F15 |
18.74 |
6.15 |
-9.36 |
-0.88 |
0 |
|
|
78583 |
49693722 |
1 |
ClS2N4O4H7C12 |
AB2C4D4E7F12 |
33.04 |
3.75 |
-9.53 |
-2.54 |
0 |
|
|
78584 |
49693727 |
1 |
SCl2N3O3H11C15 |
AB2C3D3E11F15 |
-20.28 |
2.44 |
-9.18 |
-1.03 |
0 |
|
|
78585 |
49693728 |
1 |
ClSN4O4H11C17 |
ABC4D4E11F17 |
-39.03 |
7.66 |
-9.33 |
-1.96 |
0 |
|
|
78586 |
49693730 |
1 |
ClSN4O4H11C16 |
ABC4D4E11F16 |
37.61 |
7.12 |
-9.43 |
-1.85 |
0 |
|
|
78587 |
49693731 |
1 |
ClSN3O4H12C16 |
ABC3D4E12F16 |
-53.8 |
4.17 |
-9.44 |
-1.56 |
0 |
|
|
78588 |
49693733 |
1 |
ClS2N4O4C20H21 |
AB2C4D4E20F21 |
-60.59 |
5.25 |
-9.47 |
-1.48 |
0 |
|
|
78589 |
49693735 |
1 |
ClS2N4O4C20H21 |
AB2C4D4E20F21 |
-63.31 |
6.27 |
-9.46 |
-1.48 |
0 |
|
|
78590 |
49693738 |
1 |
ClSN4O4H9C14 |
ABC4D4E9F14 |
30.86 |
8.26 |
-9.36 |
-2.07 |
0 |
|
|
78591 |
49693739 |
1 |
ClFSO2N3H9C14 |
ABCD2E3F9G14 |
-17.61 |
6.67 |
-9.36 |
-1.15 |
0 |
|
|
78592 |
49693740 |
1 |
ClSN3O3H12C15 |
ABC3D3E12F15 |
-13.82 |
7.26 |
-9.3 |
-1.03 |
0 |
|
|
78593 |
49693742 |
1 |
ClS2N4O4H17C21 |
AB2C4D4E17F21 |
-17.68 |
2.28 |
-9.04 |
-1.59 |
0 |
|
|
78594 |
49693744 |
1 |
ClSN3O5C20H22 |
ABC3D5E20F22 |
-107.25 |
8.05 |
-9.15 |
-0.83 |
0 |
|
|
78595 |
49693745 |
1 |
ClS2N4O4C19H21 |
AB2C4D4E19F21 |
-60.03 |
4.17 |
-9.58 |
-1.44 |
0 |
|
|
78596 |
49699432 |
1 |
ClFN2O4C19H20 |
ABC2D4E19F20 |
-163.75 |
2.44 |
-9.61 |
-0.73 |
0 |
|
|
78597 |
49700360 |
1 |
FS2O3N5C20H20 |
AB2C3D5E20F20 |
-51.95 |
5.73 |
-8.94 |
-1.29 |
0 |
|
|
78598 |
49700562 |
1 |
S2O4N7H21C22 |
A2B4C7D21E22 |
43.29 |
13.71 |
-8.64 |
-1.12 |
0 |
|
|
78599 |
49700602 |
1 |
S2O3N5C18H23 |
A2B3C5D18E23 |
-47.45 |
6.46 |
-8.86 |
-1.24 |
0 |
|
|
78600 |
49700655 |
1 |
O2S3N5C22H23 |
A2B3C5D22E23 |
24.23 |
4.6 |
-8.83 |
-1.26 |
0 |
|
|
78601 |
49700724 |
1 |
ClO2S2N5C18H28 |
AB2C2D5E18F28 |
-64.86 |
7.29 |
-9.32 |
-1.39 |
0 |
|
|
78602 |
49700725 |
1 |
O2S2N5C20H25 |
A2B2C5D20E25 |
-13.57 |
4.24 |
-9.08 |
-1.25 |
0 |
|
|
78603 |
49700751 |
1 |
ClS2O3N5C21H26 |
AB2C3D5E21F26 |
-60.97 |
3.63 |
-8.78 |
-1.13 |
0 |
|
|
78604 |
49700752 |
2 |
SO2N3C10H12 |
AB2C3D10E12 |
-16.2 |
7.6 |
-9.16 |
-1.85 |
0 |
|
|
78605 |
49700781 |
2 |
SO2N3C11H13 |
AB2C3D11E13 |
-6.13 |
2.8 |
-9.02 |
-2.0 |
0 |
|
|
78606 |
49700782 |
1 |
BrO2S2N5C17H26 |
AB2C2D5E17F26 |
-54.55 |
6.7 |
-8.94 |
-1.22 |
0 |
|
|
78607 |
49700787 |
1 |
O2S3N7C17H23 |
A2B3C7D17E23 |
18.05 |
6.11 |
-8.94 |
-1.53 |
0 |
|
|
78608 |
49700794 |
1 |
O2S2N5C13H19 |
A2B2C5D13E19 |
-11.19 |
4.81 |
-8.89 |
-1.19 |
0 |
|
|
78609 |
49700797 |
1 |
S2O4N5C17H19 |
A2B4C5D17E19 |
-61.13 |
5.79 |
-8.84 |
-1.19 |
0 |
|
|
78610 |
49700798 |
1 |
FO2S2N5C16H18 |
AB2C2D5E16F18 |
-43.76 |
5.05 |
-8.89 |
-1.22 |
0 |
|
|
78611 |
49700831 |
1 |
O2S2N5C20H33 |
A2B2C5D20E33 |
-67.24 |
5.7 |
-8.82 |
-1.18 |
0 |
|
|
78612 |
49700832 |
1 |
O2S2N5C17H27 |
A2B2C5D17E27 |
-54.71 |
6.1 |
-8.75 |
-1.14 |
0 |
|
|
78613 |
49700834 |
1 |
O2S2N5C17H27 |
A2B2C5D17E27 |
-50.19 |
5.05 |
-8.75 |
-1.1 |
0 |
|
|
78614 |
49700947 |
1 |
ClO2S2N5C16H26 |
AB2C2D5E16F26 |
-68.14 |
4.48 |
-8.8 |
-1.18 |
0 |
|
|
78615 |
49700949 |
1 |
O2S2N5C19H25 |
A2B2C5D19E25 |
-21.08 |
2.68 |
-8.56 |
-0.94 |
0 |
|
|
78616 |
49700969 |
1 |
ClFO2S2N5C18H21 |
ABC2D2E5F18G21 |
-68.51 |
1.48 |
-8.9 |
-1.16 |
0 |
|
|
78617 |
49700970 |
1 |
ClS2O3N5C19H24 |
AB2C3D5E19F24 |
-66.36 |
6.82 |
-8.83 |
-1.14 |
0 |
|
|
78618 |
49700971 |
2 |
SO2N3C9H11 |
AB2C3D9E11 |
-19.54 |
8.2 |
-8.5 |
-1.44 |
0 |
|
|
78619 |
49700972 |
2 |
SO2N3C9H11 |
AB2C3D9E11 |
-17.48 |
6.67 |
-9.29 |
-1.73 |
0 |
|
|
78620 |
49701044 |
1 |
ClS2O3N5C15H24 |
AB2C3D5E15F24 |
-91.52 |
4.84 |
-8.82 |
-1.16 |
0 |
|
|
78621 |
49701045 |
1 |
ClS2O3N5C14H22 |
AB2C3D5E14F22 |
-89.06 |
3.9 |
-8.96 |
-1.27 |
0 |
|
|
78622 |
49701062 |
1 |
S2N5O5C20H27 |
A2B5C5D20E27 |
-121.25 |
11.4 |
-8.94 |
-1.04 |
0 |
|
|
78623 |
49701063 |
1 |
S2N5O5C22H31 |
A2B5C5D22E31 |
-134.17 |
8.56 |
-8.73 |
-1.1 |
0 |
|
|
78624 |
49701078 |
1 |
S2O3N5C24H27 |
A2B3C5D24E27 |
-17.37 |
8.27 |
-8.98 |
-1.25 |
0 |
|
|
78625 |
49701079 |
1 |
S2O3N5C20H25 |
A2B3C5D20E25 |
-30.7 |
4.93 |
-8.85 |
-1.15 |
0 |
|
|
78626 |
49701080 |
1 |
S2N5O5C22H29 |
A2B5C5D22E29 |
-103.42 |
4.74 |
-8.52 |
-0.94 |
0 |
|
|
78627 |
49701083 |
1 |
S2N5O5C21H29 |
A2B5C5D21E29 |
-120.64 |
7.62 |
-8.55 |
-0.92 |
0 |
|
|
78628 |
49701084 |
1 |
S2O4N5C20H27 |
A2B4C5D20E27 |
-88.59 |
4.67 |
-8.68 |
-1.06 |
0 |
|
|
78629 |
49703242 |
1 |
O3N6C26H32 |
A3B6C26D32 |
-51.2 |
7.73 |
-8.93 |
-0.97 |
0 |
|
|
78630 |
49703243 |
1 |
O3N6C24H28 |
A3B6C24D28 |
-38.29 |
7.75 |
-8.98 |
-0.99 |
0 |
|
|
78631 |
49703254 |
1 |
N4O4H20C21 |
A4B4C20D21 |
-79.8 |
8.3 |
-9.03 |
-1.22 |
0 |
|
|
78632 |
49703255 |
1 |
SN4O5C20H20 |
AB4C5D20E20 |
-113.11 |
9.3 |
-9.1 |
-1.29 |
0 |
|
|
78633 |
49703257 |
1 |
O3N4C24H24 |
A3B4C24D24 |
-25.55 |
8.42 |
-8.61 |
-1.0 |
0 |
|
|
78634 |
49703264 |
1 |
FO3N4C24H25 |
AB3C4D24E25 |
-70.72 |
3.12 |
-8.72 |
-0.68 |
0 |
|
|
78635 |
49703268 |
1 |
N3O5C24H27 |
A3B5C24D27 |
-118.7 |
9.29 |
-8.32 |
-0.95 |
0 |
|
|
78636 |
49703273 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-29.43 |
6.44 |
-9.0 |
-1.0 |
0 |
|
|
78637 |
49703285 |
2 |
N2O2C9H9 |
A2B2C9D9 |
-38.76 |
9.96 |
-9.23 |
-1.09 |
0 |
|
|
78638 |
49703288 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-28.58 |
5.84 |
-9.08 |
-1.05 |
0 |
|
|
78639 |
49703292 |
1 |
O3N5H17C18 |
A3B5C17D18 |
-8.29 |
6.98 |
-8.97 |
-1.05 |
0 |
|
|
78640 |
49703295 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-81.62 |
8.11 |
-9.02 |
-0.97 |
0 |
|
|
78641 |
49703305 |
1 |
ClO3N4C24H25 |
AB3C4D24E25 |
-35.67 |
1.96 |
-8.76 |
-0.88 |
0 |
|
|
78642 |
49703323 |
1 |
N3O5C22H23 |
A3B5C22D23 |
-110.46 |
9.43 |
-8.1 |
-1.03 |
0 |
|
|
78643 |
49703343 |
1 |
ClN3O3H18C20 |
AB3C3D18E20 |
-43.9 |
6.02 |
-9.0 |
-1.06 |
0 |
|
|
78644 |
49703385 |
1 |
N4O6H20C21 |
A4B6C20D21 |
-79.26 |
13.66 |
-9.09 |
-1.19 |
0 |
|
|
78645 |
49703389 |
3 |
NOC7H7 |
ABC7D7 |
-30.09 |
2.73 |
-8.76 |
-0.97 |
0 |
|
|
78646 |
49703396 |
1 |
F2N3O3H17C20 |
A2B3C3D17E20 |
-125.47 |
7.81 |
-9.05 |
-1.21 |
0 |
|
|
78647 |
49703409 |
1 |
F3N3O4H22C23 |
A3B3C4D22E23 |
-238.58 |
11.25 |
-9.18 |
-1.16 |
0 |
|
|
78648 |
49703419 |
2 |
N2O2C11H11 |
A2B2C11D11 |
-86.47 |
4.4 |
-8.25 |
-1.05 |
0 |
|
|
78649 |
49703421 |
1 |
SN4O6C22H22 |
AB4C6D22E22 |
-166.7 |
10.86 |
-9.23 |
-1.28 |
0 |
|
|
78650 |
49703422 |
1 |
N5O5C25H27 |
A5B5C25D27 |
-132.52 |
6.99 |
-8.97 |
-1.04 |
0 |
|
|
78651 |
49703423 |
1 |
N4O5C20H22 |
A4B5C20D22 |
-136.97 |
4.98 |
-8.83 |
-1.01 |
0 |