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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
350485 |
127277847 |
1 |
SO2N3C16H29 |
AB2C3D16E29 |
-117.12 |
1.78 |
-8.57 |
-0.27 |
0 |
|
|
350486 |
127277848 |
1 |
SN2O4C20H28 |
AB2C4D20E28 |
-162.8 |
4.74 |
-9.06 |
-0.34 |
0 |
|
|
350487 |
127277849 |
1 |
SN2O4C12H20 |
AB2C4D12E20 |
-176.18 |
2.29 |
-9.3 |
-0.26 |
0 |
|
|
350488 |
127277850 |
1 |
SN3O3C20H33 |
AB3C3D20E33 |
-160.22 |
4.37 |
-9.29 |
-0.29 |
0 |
|
|
350489 |
127277851 |
1 |
S2N3O3C16H27 |
A2B3C3D16E27 |
-127.52 |
5.99 |
-8.8 |
-0.1 |
0 |
|
|
350490 |
127277852 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-126.95 |
8.51 |
-8.82 |
0.16 |
0 |
|
|
350491 |
127277853 |
1 |
SO2N3C17H31 |
AB2C3D17E31 |
-124.99 |
3.62 |
-8.79 |
-0.08 |
0 |
|
|
350492 |
127277854 |
1 |
SO2N3C16H29 |
AB2C3D16E29 |
-120.41 |
5.34 |
-8.8 |
0.12 |
0 |
|
|
350493 |
127277855 |
1 |
SO3N4C19H32 |
AB3C4D19E32 |
-164.43 |
6.09 |
-9.24 |
-0.22 |
0 |
|
|
350494 |
127277856 |
1 |
O2S2N4C15H22 |
A2B2C4D15E22 |
-42.12 |
6.89 |
-8.98 |
-0.78 |
0 |
|
|
350495 |
127277857 |
1 |
SO2N3C17H31 |
AB2C3D17E31 |
-124.21 |
5.34 |
-8.76 |
-0.13 |
0 |
|
|
350496 |
127277858 |
1 |
S2N3O4C13H23 |
A2B3C4D13E23 |
-174.85 |
3.48 |
-9.18 |
-0.19 |
0 |
|
|
350497 |
127277859 |
1 |
S2N3O4C13H23 |
A2B3C4D13E23 |
-187.38 |
4.04 |
-9.21 |
-0.26 |
0 |
|
|
350498 |
127277860 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-145.63 |
5.08 |
-8.84 |
-0.31 |
0 |
|
|
350499 |
127277861 |
1 |
SO2N3C16H29 |
AB2C3D16E29 |
-106.93 |
7.92 |
-8.88 |
0.11 |
0 |
|
|
350500 |
127277862 |
1 |
S2N3O4C15H25 |
A2B3C4D15E25 |
-172.0 |
5.09 |
-9.39 |
-0.39 |
0 |
|
|
350501 |
127277863 |
1 |
SO2N3C16H29 |
AB2C3D16E29 |
-113.21 |
7.67 |
-8.92 |
0.06 |
0 |
|
|
350502 |
127277864 |
1 |
SN3O3C12H19 |
AB3C3D12E19 |
-132.32 |
3.84 |
-9.43 |
-0.47 |
0 |
|
|
350503 |
127277865 |
1 |
N2S2O4C17H20 |
A2B2C4D17E20 |
-131.02 |
9.12 |
-9.02 |
-0.97 |
0 |
|
|
350504 |
127277866 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-80.7 |
3.06 |
-9.01 |
-0.02 |
0 |
|
|
350505 |
127277867 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-68.47 |
1.09 |
-9.35 |
-0.34 |
0 |
|
|
350506 |
127277868 |
1 |
S2N3O4C12H21 |
A2B3C4D12E21 |
-174.29 |
7.77 |
-9.01 |
-0.05 |
0 |
|
|
350507 |
127277869 |
1 |
SN3O3C13H23 |
AB3C3D13E23 |
-129.51 |
8.32 |
-9.02 |
-0.04 |
0 |
|
|
350508 |
127277870 |
1 |
N3O3S3C15H23 |
A3B3C3D15E23 |
-122.44 |
2.94 |
-8.91 |
-0.48 |
0 |
|
|
350509 |
127277871 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-127.76 |
4.25 |
-8.87 |
-0.06 |
0 |
|
|
350510 |
127277872 |
1 |
SN3O3C12H19 |
AB3C3D12E19 |
-139.44 |
5.73 |
-8.92 |
0.04 |
0 |
|
|
350511 |
127277873 |
1 |
S2N3O3C15H23 |
A2B3C3D15E23 |
-125.11 |
5.85 |
-8.86 |
-0.27 |
0 |
|
|
350512 |
127277874 |
1 |
S2N3O3C15H23 |
A2B3C3D15E23 |
-101.73 |
5.09 |
-9.09 |
-0.27 |
0 |
|
|
350513 |
127277875 |
1 |
S2N3O3C15H23 |
A2B3C3D15E23 |
-110.02 |
2.3 |
-9.16 |
-0.48 |
0 |
|
|
350514 |
127277876 |
1 |
SO2N3C15H27 |
AB2C3D15E27 |
-111.4 |
4.39 |
-8.6 |
-0.16 |
0 |
|
|
350515 |
127277877 |
1 |
SO3N5C15H23 |
AB3C5D15E23 |
-62.44 |
5.62 |
-8.96 |
-0.54 |
0 |
|
|
350516 |
127277878 |
1 |
SN3O3C15H27 |
AB3C3D15E27 |
-149.43 |
5.39 |
-8.69 |
-0.15 |
0 |
|
|
350517 |
127277879 |
1 |
SN2O2C12H20 |
AB2C2D12E20 |
-96.76 |
6.96 |
-8.94 |
0.03 |
0 |
|
|
350518 |
127277880 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-123.66 |
6.72 |
-9.18 |
-0.42 |
0 |
|
|
350519 |
127277881 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-82.12 |
9.35 |
-8.84 |
-0.26 |
0 |
|
|
350520 |
127277882 |
1 |
S2N3O3C18H29 |
A2B3C3D18E29 |
-153.93 |
3.96 |
-8.87 |
-0.04 |
0 |
|
|
350521 |
127277883 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-153.48 |
7.88 |
-8.85 |
0.07 |
0 |
|
|
350522 |
127277884 |
1 |
SN2O2C14H24 |
AB2C2D14E24 |
-113.05 |
3.88 |
-9.14 |
-0.16 |
0 |
|
|
350523 |
127277885 |
1 |
SN3O3C14H25 |
AB3C3D14E25 |
-128.68 |
6.92 |
-8.95 |
0.02 |
0 |
|
|
350524 |
127277886 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-61.27 |
6.06 |
-8.63 |
-1.17 |
0 |
|
|
350525 |
127277887 |
1 |
NO2C14H25 |
AB2C14D25 |
-118.23 |
4.91 |
-9.1 |
1.29 |
0 |
|
|
350526 |
127277888 |
1 |
S2N4O4C15H20 |
A2B4C4D15E20 |
-90.58 |
2.7 |
-8.73 |
-1.2 |
0 |
|
|
350527 |
127277889 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-147.11 |
7.24 |
-8.76 |
1.23 |
0 |
|
|
350528 |
127277890 |
3 |
NOC5H9 |
ABC5D9 |
-148.66 |
2.66 |
-9.19 |
0.91 |
0 |
|
|
350529 |
127277891 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-141.63 |
3.02 |
-9.45 |
0.56 |
0 |
|
|
350530 |
127277892 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-146.77 |
5.25 |
-9.19 |
0.7 |
0 |
|
|
350531 |
127277893 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-146.79 |
6.53 |
-9.26 |
0.52 |
0 |
|
|
350532 |
127277894 |
1 |
NO2C17H27 |
AB2C17D27 |
-121.4 |
4.81 |
-9.05 |
1.27 |
0 |
|
|
350533 |
127277895 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-156.46 |
3.68 |
-9.42 |
0.65 |
0 |
|
|
350534 |
127277896 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-142.09 |
5.87 |
-9.48 |
0.61 |
0 |
|
|
350535 |
127277897 |
1 |
SN4O4C17H28 |
AB4C4D17E28 |
-169.88 |
4.54 |
-9.36 |
-0.13 |
0 |
|
|
350536 |
127277898 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-204.12 |
6.07 |
-9.76 |
-0.3 |
0 |
|
|
350537 |
127277899 |
1 |
O2N5C11H17 |
A2B5C11D17 |
-2.02 |
3.99 |
-10.11 |
-0.65 |
0 |
|
|
350538 |
127277900 |
1 |
SN4O4C17H28 |
AB4C4D17E28 |
-142.52 |
4.02 |
-9.41 |
-0.13 |
0 |
|
|
350539 |
127277901 |
1 |
NO5C21H27 |
AB5C21D27 |
-215.66 |
4.79 |
-9.41 |
-0.53 |
0 |
|
|
350540 |
127277902 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-148.8 |
5.79 |
-9.03 |
-0.68 |
0 |
|
|
350541 |
127277903 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-169.88 |
3.63 |
-9.01 |
-0.6 |
0 |
|
|
350542 |
127277904 |
1 |
SN3O5C18H27 |
AB3C5D18E27 |
-192.45 |
7.52 |
-8.96 |
-0.51 |
0 |
|
|
350543 |
127277905 |
1 |
FSN3O4C17H24 |
ABC3D4E17F24 |
-197.28 |
4.25 |
-9.13 |
-0.91 |
0 |
|
|
350544 |
127278512 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-70.1 |
3.79 |
-8.77 |
-0.87 |
0 |
|
|
350545 |
127278513 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-112.53 |
7.07 |
-9.49 |
-0.69 |
0 |
|
|
350546 |
127278514 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-112.84 |
7.81 |
-9.54 |
-0.8 |
0 |
|
|
350547 |
127278515 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-112.55 |
4.15 |
-9.5 |
-0.71 |
0 |
|
|
350548 |
127278516 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-96.49 |
8.05 |
-9.7 |
0.66 |
0 |
|
|
350549 |
127278517 |
1 |
NSO4H21C22 |
ABC4D21E22 |
-94.81 |
1.3 |
-9.64 |
-1.71 |
0 |
|
|
350550 |
127278518 |
1 |
ON4C20H28 |
AB4C20D28 |
-6.0 |
4.73 |
-9.16 |
-0.56 |
0 |
|
|
350551 |
127278519 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-74.56 |
5.23 |
-8.81 |
-0.44 |
0 |
|
|
350552 |
127278520 |
1 |
SO3N4C15H24 |
AB3C4D15E24 |
-101.96 |
10.54 |
-9.3 |
0.14 |
0 |
|
|
350553 |
127278521 |
1 |
ON4C21H28 |
AB4C21D28 |
12.55 |
5.72 |
-9.02 |
-0.39 |
0 |
|
|
350554 |
127278522 |
1 |
ClN2S2O3C14H19 |
AB2C2D3E14F19 |
-95.1 |
5.26 |
-9.49 |
-1.08 |
0 |
|
|
350555 |
127278523 |
1 |
ON4C19H26 |
AB4C19D26 |
6.65 |
5.17 |
-9.24 |
-0.66 |
0 |
|
|
350556 |
127278524 |
1 |
ClON4C20H25 |
ABC4D20E25 |
12.28 |
5.89 |
-9.13 |
-0.87 |
0 |
|
|
350557 |
127278525 |
1 |
ClON4C20H23 |
ABC4D20E23 |
49.39 |
6.91 |
-9.14 |
-0.94 |
0 |
|
|
350558 |
127278526 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-61.77 |
3.14 |
-9.53 |
-1.16 |
0 |
|
|
350559 |
127278527 |
1 |
ClON4C19H23 |
ABC4D19E23 |
16.86 |
5.4 |
-9.2 |
-0.9 |
0 |
|
|
350560 |
127278528 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-97.02 |
5.2 |
-9.6 |
0.84 |
0 |
|
|
350561 |
127278596 |
1 |
SN3O3C12H23 |
AB3C3D12E23 |
-129.14 |
8.86 |
-9.04 |
0.33 |
0 |
|
|
350562 |
127278597 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-88.73 |
8.24 |
-9.27 |
0.7 |
0 |
|
|
350563 |
127278598 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-95.57 |
5.19 |
-9.13 |
0.9 |
0 |
|
|
350564 |
127278599 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-94.44 |
8.57 |
-9.08 |
0.75 |
0 |
|
|
350565 |
127278600 |
1 |
ON2C14H26 |
AB2C14D26 |
-67.93 |
4.97 |
-9.09 |
1.28 |
0 |
|
|
350566 |
127278601 |
1 |
S2N3O4C16H19 |
A2B3C4D16E19 |
-128.47 |
4.12 |
-8.43 |
-0.62 |
0 |
|
|
350567 |
127278602 |
1 |
SN3C12H17 |
AB3C12D17 |
31.43 |
1.77 |
-8.73 |
-0.16 |
0 |
|
|
350568 |
127278603 |
1 |
N3C12H17 |
A3B12C17 |
19.95 |
4.79 |
-8.55 |
0.12 |
0 |
|
|
350569 |
127278604 |
1 |
ON5C15H21 |
AB5C15D21 |
40.82 |
7.3 |
-8.83 |
-0.5 |
0 |
|
|
350570 |
127278605 |
1 |
SN2O3C16H26 |
AB2C3D16E26 |
-158.33 |
1.75 |
-8.86 |
-0.12 |
0 |
|
|
350571 |
127278606 |
1 |
SO2N6C12H16 |
AB2C6D12E16 |
10.59 |
4.72 |
-8.78 |
-0.7 |
0 |
|
|
350572 |
127278607 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-156.85 |
4.0 |
-9.56 |
-0.53 |
0 |
|
|
350573 |
127278608 |
1 |
Cl2N2O3S3H10C12 |
A2B2C3D3E10F12 |
-65.8 |
4.77 |
-8.83 |
-0.99 |
0 |
|
|
350574 |
127278609 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-116.73 |
7.24 |
-8.88 |
-0.15 |
0 |
|
|
350575 |
127278610 |
1 |
SN2O4C15H18 |
AB2C4D15E18 |
-158.21 |
4.54 |
-8.85 |
0.0 |
0 |
|
|
350576 |
127278611 |
1 |
ON7C19H23 |
AB7C19D23 |
60.69 |
5.98 |
-9.18 |
-0.71 |
0 |
|
|
350577 |
127278612 |
2 |
ON3C5H8 |
AB3C5D8 |
-19.82 |
4.41 |
-9.6 |
-0.72 |
0 |
|
|
350578 |
127278613 |
1 |
O2N7C20H21 |
A2B7C20D21 |
34.23 |
3.17 |
-8.46 |
-0.85 |
0 |
|
|
350579 |
127278614 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-52.64 |
2.53 |
-8.45 |
-0.3 |
0 |
|
|
350580 |
127278615 |
1 |
OSN4C17H22 |
ABC4D17E22 |
14.55 |
5.95 |
-8.98 |
-0.72 |
0 |
|
|
350581 |
127278616 |
1 |
SN4O5C16H26 |
AB4C5D16E26 |
-200.64 |
5.67 |
-9.45 |
-0.02 |
0 |
|
|
350582 |
127278617 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-111.66 |
5.66 |
-9.22 |
0.03 |
0 |
|
|
350583 |
127278618 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-173.06 |
6.1 |
-9.12 |
-0.01 |
0 |
|
|
350584 |
127278619 |
1 |
ON6C15H20 |
AB6C15D20 |
51.32 |
7.06 |
-8.82 |
-1.26 |
0 |