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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13575 |
301187 |
2 |
OC9H11 |
AB9C11 |
-67.42 |
2.38 |
-9.35 |
0.12 |
0 |
|
|
13576 |
301190 |
1 |
OC16H20 |
AB16C20 |
-23.54 |
2.76 |
-9.47 |
-0.5 |
0 |
|
|
13577 |
301193 |
2 |
OH8C10 |
AB8C10 |
8.11 |
3.13 |
-9.09 |
-0.55 |
0 |
|
|
13578 |
301196 |
1 |
O4H18C19 |
A4B18C19 |
-47.83 |
6.63 |
-9.59 |
-0.23 |
0 |
|
|
13579 |
301205 |
2 |
NO2C9H10 |
AB2C9D10 |
-53.18 |
6.5 |
-9.77 |
-1.36 |
0 |
|
|
13580 |
301206 |
1 |
N2F3O4H11C13 |
A2B3C4D11E13 |
-193.31 |
4.54 |
-8.92 |
-1.86 |
0 |
|
|
13581 |
301209 |
2 |
O3H7C10 |
A3B7C10 |
-155.74 |
2.93 |
-10.25 |
-2.3 |
0 |
|
|
13582 |
301213 |
2 |
O3H8C9 |
A3B8C9 |
-229.99 |
5.16 |
-8.88 |
-1.48 |
0 |
|
|
13583 |
301215 |
1 |
O3N6C63H112 |
A3B6C63D112 |
-276.65 |
2.47 |
-8.48 |
-0.48 |
0 |
|
|
13584 |
301223 |
1 |
SN4O6C16H18 |
AB4C6D16E18 |
-37.39 |
13.12 |
-9.18 |
-0.97 |
0 |
|
|
13585 |
301226 |
1 |
NOSC12H15 |
ABCD12E15 |
-33.63 |
1.94 |
-8.94 |
-0.07 |
0 |
|
|
13586 |
301228 |
1 |
SN4O6C20H26 |
AB4C6D20E26 |
-83.34 |
5.94 |
-9.4 |
-1.2 |
0 |
|
|
13587 |
301230 |
1 |
SN4O6C14H14 |
AB4C6D14E14 |
-54.75 |
12.52 |
-9.47 |
-1.24 |
0 |
|
|
13588 |
301233 |
2 |
N2O2C6H11 |
A2B2C6D11 |
-107.35 |
2.89 |
-9.83 |
-0.3 |
0 |
|
|
13589 |
301234 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-26.54 |
2.42 |
-9.49 |
-0.19 |
0 |
|
|
13590 |
301236 |
2 |
NOC5H6 |
ABC5D6 |
-19.64 |
2.1 |
-9.55 |
-0.6 |
0 |
|
|
13591 |
301241 |
2 |
NOC3H6 |
ABC3D6 |
-58.32 |
4.19 |
-9.87 |
0.01 |
0 |
|
|
13592 |
301243 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-51.04 |
4.18 |
-9.73 |
-0.63 |
0 |
|
|
13593 |
395638 |
1 |
ON2C15H16 |
AB2C15D16 |
-0.89 |
3.2 |
-8.62 |
-0.55 |
0 |
|
|
13594 |
395672 |
1 |
SN2O3C16H16 |
AB2C3D16E16 |
-65.56 |
3.43 |
-9.38 |
-1.65 |
0 |
|
|
13595 |
395711 |
1 |
SO2C20H26 |
AB2C20D26 |
-73.55 |
7.57 |
-9.05 |
-0.59 |
0 |
|
|
13596 |
395714 |
1 |
SO6C23H30 |
AB6C23D30 |
-216.0 |
5.13 |
-9.49 |
-0.57 |
0 |
|
|
13598 |
395766 |
1 |
NSO4H7C15 |
ABC4D7E15 |
-68.9 |
2.27 |
-9.14 |
-2.03 |
0 |
|
|
13599 |
395773 |
1 |
NF2O2H9C14 |
AB2C2D9E14 |
-95.14 |
2.53 |
-9.5 |
-1.16 |
0 |
|
|
13600 |
395787 |
1 |
NS2O4C13H13 |
AB2C4D13E13 |
-101.32 |
2.97 |
-8.92 |
-1.03 |
0 |
|
|
13601 |
395815 |
1 |
S3N5O5C10H11 |
A3B5C5D10E11 |
-120.9 |
11.14 |
-9.46 |
-1.44 |
0 |
|
|
13602 |
395817 |
1 |
S3N5O6H7C8 |
A3B5C6D7E8 |
-64.58 |
5.65 |
-9.96 |
-2.64 |
0 |
|
|
13603 |
395818 |
1 |
S3N5O6H7C8 |
A3B5C6D7E8 |
-62.31 |
4.4 |
-9.93 |
-2.1 |
0 |
|
|
13604 |
395874 |
1 |
SN2O12H46C48 |
AB2C12D46E48 |
-320.78 |
7.49 |
-8.31 |
-0.57 |
0 |
|
|
13605 |
395902 |
1 |
SN2C10H10 |
AB2C10D10 |
49.41 |
2.98 |
-8.94 |
-0.21 |
0 |
|
|
13606 |
395903 |
1 |
SN2C11H12 |
AB2C11D12 |
38.95 |
3.21 |
-8.93 |
-0.16 |
0 |
|
|
13607 |
395920 |
1 |
ClSN5H12C19 |
ABC5D12E19 |
131.59 |
4.01 |
-8.68 |
-1.39 |
0 |
|
|
13608 |
395926 |
1 |
ClON6H11C23 |
ABC6D11E23 |
185.64 |
15.84 |
-9.32 |
-2.7 |
0 |
|
|
13609 |
395927 |
1 |
ClOH7N8C16 |
ABC7D8E16 |
191.31 |
9.78 |
-9.83 |
-2.83 |
0 |
|
|
13610 |
395934 |
2 |
NOH8C12 |
ABC8D12 |
49.5 |
3.5 |
-8.69 |
-1.59 |
0 |
|
|
13611 |
395937 |
1 |
NO5H13C17 |
AB5C13D17 |
-108.31 |
7.4 |
-9.31 |
-1.69 |
0 |
|
|
13612 |
395964 |
2 |
NOH9C10 |
ABC9D10 |
1.77 |
3.78 |
-8.44 |
-1.41 |
0 |
|
|
13613 |
396002 |
1 |
ClON6C11H17 |
ABC6D11E17 |
23.49 |
4.93 |
-9.19 |
-0.71 |
0 |
|
|
13614 |
396010 |
1 |
ON6C8H12 |
AB6C8D12 |
43.57 |
1.57 |
-8.95 |
-0.38 |
0 |
|
|
13615 |
396054 |
1 |
O2F3N4H21C33 |
A2B3C4D21E33 |
-75.79 |
7.12 |
-8.78 |
-1.59 |
0 |
|
|
13616 |
396056 |
1 |
O2F3N6H17C28 |
A2B3C6D17E28 |
-5.44 |
3.37 |
-9.06 |
-1.76 |
0 |
|
|
13617 |
396075 |
2 |
NOC14H21 |
ABC14D21 |
-31.67 |
1.22 |
-8.63 |
0.5 |
0 |
|
|
13618 |
396084 |
1 |
FPN2O9C31H56 |
ABC2D9E31F56 |
-588.6 |
4.91 |
-9.72 |
-0.55 |
0 |
|
|
13619 |
396120 |
1 |
ClOSN2H17C19 |
ABCD2E17F19 |
56.61 |
1.27 |
-8.06 |
-0.62 |
0 |
|
|
13620 |
396169 |
1 |
SiN2O4C15H28 |
AB2C4D15E28 |
-246.72 |
5.41 |
-9.18 |
-0.54 |
0 |
|
|
13621 |
396179 |
1 |
SN2O4C14H16 |
AB2C4D14E16 |
-123.33 |
4.46 |
-8.64 |
-0.65 |
0 |
|
|
13622 |
396190 |
2 |
ON4H15C16 |
AB4C15D16 |
92.07 |
2.47 |
-9.2 |
-1.75 |
0 |
|
|
13623 |
396208 |
1 |
BrSN3H12C19 |
ABC3D12E19 |
118.5 |
3.43 |
-8.22 |
-0.87 |
0 |
|
|
13624 |
396250 |
1 |
S2N3O4C32H41 |
A2B3C4D32E41 |
-91.31 |
7.81 |
-8.64 |
-0.4 |
0 |
|
|
13625 |
396304 |
1 |
OSN4H6C9 |
ABC4D6E9 |
48.79 |
2.4 |
-8.99 |
-1.22 |
0 |
|
|
13626 |
396307 |
1 |
OSN4H12C18 |
ABC4D12E18 |
110.11 |
2.07 |
-8.94 |
-1.64 |
0 |
|
|
13627 |
396310 |
1 |
NO4H13C19 |
AB4C13D19 |
-12.43 |
2.45 |
-9.36 |
-1.43 |
0 |
|
|
13628 |
396313 |
2 |
NOH13C14 |
ABC13D14 |
-11.16 |
3.5 |
-9.1 |
-0.67 |
0 |
|
|
13629 |
396321 |
2 |
NOH13C15 |
ABC13D15 |
23.18 |
7.02 |
-9.3 |
-0.76 |
0 |
|
|
13630 |
396324 |
1 |
N2O3H28C31 |
A2B3C28D31 |
-13.56 |
8.31 |
-9.01 |
-0.57 |
0 |
|
|
13631 |
396347 |
1 |
O2N3H29C33 |
A2B3C29D33 |
33.81 |
4.47 |
-8.48 |
-0.82 |
0 |
|
|
13632 |
396349 |
1 |
FSN2H9C13 |
ABC2D9E13 |
21.65 |
4.48 |
-8.58 |
-0.94 |
0 |
|
|
13633 |
396351 |
1 |
ClFSN2H8C13 |
ABCD2E8F13 |
13.37 |
3.71 |
-8.69 |
-1.1 |
0 |
|
|
13634 |
396358 |
3 |
O2C7H8 |
A2B7C8 |
-218.65 |
3.07 |
-8.88 |
-0.45 |
0 |
|
|
13635 |
396360 |
1 |
O6C27H34 |
A6B27C34 |
-222.91 |
4.7 |
-8.83 |
-0.56 |
0 |
|
|
13636 |
396362 |
1 |
NPCl2O6C23H32 |
ABC2D6E23F32 |
-365.67 |
5.15 |
-9.12 |
-0.28 |
0 |
|
|
13637 |
396363 |
1 |
BrF3O3N4C22H24 |
AB3C3D4E22F24 |
-225.13 |
2.44 |
-8.81 |
-1.22 |
0 |
|
|
13638 |
396365 |
1 |
O9C24H28 |
A9B24C28 |
-301.06 |
2.42 |
-9.42 |
-0.54 |
0 |
|
|
13639 |
396436 |
1 |
SO2N4C11H18 |
AB2C4D11E18 |
-68.68 |
7.44 |
-9.33 |
-0.46 |
0 |
|
|
13640 |
396462 |
2 |
SF3O4H6C13 |
AB3C4D6E13 |
-477.85 |
4.16 |
-9.22 |
-1.8 |
0 |
|
|
13641 |
396470 |
1 |
NO3H11C14 |
AB3C11D14 |
-17.19 |
3.75 |
-8.54 |
-1.02 |
0 |
|
|
13642 |
396480 |
1 |
NCl2O7C45H59 |
AB2C7D45E59 |
-351.84 |
7.67 |
-9.79 |
-1.38 |
0 |
|
|
13643 |
396483 |
1 |
SN2O5H14C15 |
AB2C5D14E15 |
-168.78 |
12.22 |
-9.4 |
-1.16 |
0 |
|
|
13644 |
396487 |
1 |
SN2O7C12H14 |
AB2C7D12E14 |
-280.45 |
11.91 |
-10.56 |
-1.06 |
0 |
|
|
13645 |
396492 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-211.18 |
4.29 |
-9.57 |
-0.61 |
0 |
|
|
13646 |
396493 |
1 |
SN5O5C15H23 |
AB5C5D15E23 |
-193.61 |
7.53 |
-9.38 |
-0.82 |
0 |
|
|
13647 |
396495 |
1 |
SN2O5C17H18 |
AB2C5D17E18 |
-176.38 |
1.84 |
-9.78 |
-0.74 |
0 |
|
|
13648 |
396500 |
1 |
Cl2S2O3N4H12C14 |
A2B2C3D4E12F14 |
-69.34 |
6.78 |
-9.08 |
-1.39 |
0 |
|
|
13649 |
396501 |
1 |
Cl2S2O3N4H12C14 |
A2B2C3D4E12F14 |
-67.65 |
5.36 |
-8.99 |
-1.18 |
0 |
|
|
13650 |
396503 |
1 |
Cl2O3S3N6H8C10 |
A2B3C3D6E8F10 |
-32.95 |
3.48 |
-9.49 |
-2.07 |
0 |
|
|
13651 |
396543 |
2 |
NOSC10H10 |
ABCD10E10 |
35.65 |
6.18 |
-8.27 |
-1.35 |
0 |
|
|
13652 |
396545 |
1 |
OSN2C12H12 |
ABC2D12E12 |
6.76 |
4.77 |
-9.17 |
-0.84 |
0 |
|
|
13653 |
396557 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
7.83 |
1.28 |
-8.45 |
-1.03 |
0 |
|
|
13654 |
396558 |
1 |
OSN2C18H20 |
ABC2D18E20 |
40.72 |
2.26 |
-8.89 |
-0.78 |
0 |
|
|
13655 |
396559 |
1 |
ClOSN2C17H17 |
ABCD2E17F17 |
39.34 |
5.13 |
-8.84 |
-1.24 |
0 |
|
|
13656 |
396560 |
1 |
ON2S2C15H16 |
AB2C2D15E16 |
52.56 |
2.73 |
-8.68 |
-1.34 |
0 |
|
|
13657 |
396566 |
1 |
SN2O11C25H28 |
AB2C11D25E28 |
-389.8 |
1.53 |
-8.87 |
-1.46 |
0 |
|
|
13658 |
396567 |
1 |
SN2O8H32C39 |
AB2C8D32E39 |
-161.24 |
2.47 |
-8.82 |
-1.13 |
0 |
|
|
13660 |
396571 |
1 |
BrON2F3H10C17 |
ABC2D3E10F17 |
-143.07 |
6.04 |
-9.02 |
-1.21 |
0 |
|
|
13661 |
396581 |
1 |
SN4H12C15 |
AB4C12D15 |
161.54 |
0.7 |
-9.05 |
-0.94 |
0 |
|
|
13662 |
396583 |
1 |
N4O4C29H44 |
A4B4C29D44 |
-169.61 |
7.66 |
-8.16 |
-0.07 |
0 |
|
|
13663 |
396590 |
1 |
N3O6C16H21 |
A3B6C16D21 |
-199.72 |
1.5 |
-9.48 |
-1.18 |
0 |
|
|
13664 |
396594 |
2 |
N3C7H7 |
A3B7C7 |
127.91 |
2.96 |
-8.65 |
-1.18 |
0 |
|
|
13665 |
396596 |
1 |
N6H12C13 |
A6B12C13 |
125.27 |
2.02 |
-8.74 |
-1.12 |
0 |
|
|
13666 |
396732 |
1 |
S2N3O3C25H29 |
A2B3C3D25E29 |
-52.12 |
6.49 |
-8.92 |
-1.41 |
0 |
|
|
13667 |
396811 |
1 |
ClOSN4C19H21 |
ABCD4E19F21 |
7.35 |
4.13 |
-8.82 |
-1.1 |
0 |
|
|
13668 |
396834 |
1 |
SN3O3C13H19 |
AB3C3D13E19 |
-107.5 |
7.14 |
-9.15 |
-0.54 |
0 |
|
|
13669 |
396835 |
4 |
H2S3C4 |
A2B3C4 |
158.17 |
0.68 |
-8.91 |
-1.98 |
0 |
|
|
13670 |
396836 |
1 |
SO2N4H34C46 |
AB2C4D34E46 |
141.36 |
6.31 |
-8.4 |
-1.24 |
0 |
|
|
13671 |
396837 |
1 |
NO2H21C22 |
AB2C21D22 |
-20.15 |
4.26 |
-8.48 |
-1.07 |
0 |
|
|
13672 |
396838 |
1 |
NO3H21C22 |
AB3C21D22 |
-49.82 |
6.84 |
-8.51 |
-1.03 |
0 |
|
|
13673 |
396839 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-16.43 |
9.85 |
-9.46 |
-1.48 |
0 |
|
|
13675 |
396845 |
2 |
O2Cl3H8C14 |
A2B3C8D14 |
-96.11 |
1.35 |
-9.03 |
-1.33 |
0 |
|
|
13676 |
396851 |
2 |
NOH5C6 |
ABC5D6 |
-18.42 |
9.06 |
-7.75 |
-0.74 |
0 |
|
|
13677 |
396860 |
1 |
O3N5H19C21 |
A3B5C19D21 |
34.42 |
4.39 |
-9.16 |
-1.38 |
0 |