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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145464 |
53529030 |
1 |
ClOSN3C16H18 |
ABCD3E16F18 |
-1.64 |
3.74 |
-8.32 |
-0.72 |
0 |
|
|
145465 |
53529730 |
1 |
OSN4C17H18 |
ABC4D17E18 |
30.53 |
3.79 |
-9.3 |
-0.68 |
0 |
|
|
145466 |
53529731 |
1 |
SN3O3C22H23 |
AB3C3D22E23 |
-58.16 |
9.83 |
-9.33 |
-0.96 |
0 |
|
|
145467 |
53529757 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-46.92 |
2.6 |
-8.94 |
0.02 |
0 |
|
|
145468 |
53529758 |
1 |
SN2O2C20H28 |
AB2C2D20E28 |
-65.75 |
4.39 |
-8.72 |
-0.3 |
0 |
|
|
145469 |
53529759 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-32.02 |
7.64 |
-9.15 |
-0.64 |
0 |
|
|
145470 |
53530200 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-96.19 |
2.97 |
-9.37 |
-0.74 |
0 |
|
|
145471 |
53530442 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-46.75 |
1.46 |
-9.22 |
-0.15 |
0 |
|
|
145472 |
53530545 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-56.01 |
4.09 |
-8.63 |
-0.16 |
0 |
|
|
145473 |
53530546 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-7.33 |
2.79 |
-8.87 |
-0.24 |
0 |
|
|
145474 |
53530547 |
1 |
ON4C18H24 |
AB4C18D24 |
-14.32 |
2.53 |
-9.28 |
-0.5 |
0 |
|
|
145475 |
53530548 |
1 |
BrClN3O3C14H15 |
ABC3D3E14F15 |
-88.76 |
2.24 |
-8.86 |
-0.2 |
0 |
|
|
145476 |
53530549 |
1 |
BrN3O3C14H14 |
AB3C3D14E14 |
-55.81 |
2.03 |
-8.87 |
-0.22 |
0 |
|
|
145477 |
53530550 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-70.58 |
4.2 |
-9.08 |
-0.33 |
0 |
|
|
145478 |
53530725 |
1 |
ClSN2O2C15H15 |
ABC2D2E15F15 |
-44.93 |
1.45 |
-9.48 |
-0.7 |
0 |
|
|
145479 |
53530998 |
1 |
ON3C18H23 |
AB3C18D23 |
24.88 |
3.5 |
-8.68 |
-0.24 |
0 |
|
|
145480 |
53531632 |
1 |
N4C15H22 |
A4B15C22 |
22.72 |
4.59 |
-8.78 |
-0.36 |
0 |
|
|
145481 |
53533011 |
1 |
O2N3C20H33 |
A2B3C20D33 |
-90.73 |
3.26 |
-8.31 |
0.2 |
0 |
|
|
145482 |
53533012 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-54.5 |
6.07 |
-9.31 |
-0.91 |
0 |
|
|
145483 |
53533045 |
1 |
ON3C21H21 |
AB3C21D21 |
65.51 |
3.43 |
-8.78 |
-0.37 |
0 |
|
|
145484 |
53533831 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-92.9 |
4.93 |
-8.6 |
0.21 |
0 |
|
|
145485 |
53534375 |
1 |
Cl2N3O4H17C19 |
A2B3C4D17E19 |
-124.65 |
4.16 |
-8.59 |
-1.22 |
0 |
|
|
145486 |
53534749 |
1 |
O2F3N3C18H18 |
A2B3C3D18E18 |
-202.98 |
3.39 |
-9.1 |
-1.01 |
0 |
|
|
145487 |
53535266 |
1 |
SO3N4C22H34 |
AB3C4D22E34 |
-83.6 |
6.69 |
-8.99 |
-0.25 |
0 |
|
|
145488 |
53535267 |
1 |
SN3O4C20H25 |
AB3C4D20E25 |
-121.85 |
4.51 |
-8.29 |
-0.37 |
0 |
|
|
145489 |
53535268 |
1 |
SF3N5C19H20 |
AB3C5D19E20 |
-92.84 |
4.44 |
-8.91 |
-0.85 |
0 |
|
|
145490 |
53535269 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-104.92 |
10.68 |
-8.4 |
0.05 |
0 |
|
|
145491 |
53535270 |
1 |
NO4C19H21 |
AB4C19D21 |
-110.77 |
4.09 |
-8.76 |
-0.05 |
0 |
|
|
145492 |
53535362 |
1 |
ClO2N3H12C17 |
AB2C3D12E17 |
-15.71 |
8.76 |
-9.24 |
-1.07 |
0 |
|
|
145493 |
53535499 |
1 |
N3O4H13C14 |
A3B4C13D14 |
-82.13 |
5.75 |
-8.79 |
-1.45 |
0 |
|
|
145494 |
53535532 |
1 |
NSO3C21H25 |
ABC3D21E25 |
-74.38 |
4.05 |
-8.82 |
-0.47 |
0 |
|
|
145495 |
53535533 |
1 |
NO3C26H27 |
AB3C26D27 |
-64.22 |
5.46 |
-8.32 |
-0.1 |
0 |
|
|
145496 |
53535918 |
1 |
O2S2N3C19H21 |
A2B2C3D19E21 |
-14.43 |
3.56 |
-8.73 |
-0.65 |
0 |
|
|
145497 |
53535919 |
1 |
SO2N3C20H31 |
AB2C3D20E31 |
-90.55 |
2.2 |
-8.53 |
-0.27 |
0 |
|
|
145498 |
53535920 |
1 |
SF2N3O4H23C25 |
AB2C3D4E23F25 |
-189.69 |
2.57 |
-9.01 |
-0.62 |
0 |
|
|
145499 |
53535921 |
1 |
F2N2O5C21H26 |
A2B2C5D21E26 |
-309.77 |
6.27 |
-9.31 |
-0.37 |
0 |
|
|
145500 |
53535922 |
1 |
O3N4C26H28 |
A3B4C26D28 |
-39.26 |
4.19 |
-8.72 |
-0.94 |
0 |
|
|
145501 |
53536498 |
1 |
N3O3H15C17 |
A3B3C15D17 |
-52.12 |
7.44 |
-8.94 |
-0.92 |
0 |
|
|
145502 |
53536499 |
1 |
FO2N4C23H25 |
AB2C4D23E25 |
-69.2 |
5.54 |
-8.36 |
-0.92 |
0 |
|
|
145503 |
53536500 |
1 |
O2N3C21H21 |
A2B3C21D21 |
-35.75 |
3.8 |
-8.32 |
-1.26 |
0 |
|
|
145504 |
53536501 |
1 |
ClON4H19C20 |
ABC4D19E20 |
33.09 |
6.73 |
-8.49 |
-0.35 |
0 |
|
|
145505 |
53536502 |
1 |
N5H19C21 |
A5B19C21 |
146.14 |
5.19 |
-8.85 |
-0.9 |
0 |
|
|
145506 |
53536503 |
1 |
O4N6C25H36 |
A4B6C25D36 |
-186.96 |
4.46 |
-9.17 |
-1.29 |
0 |
|
|
145507 |
53536504 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-33.33 |
3.71 |
-8.41 |
-0.2 |
0 |
|
|
145508 |
53536505 |
2 |
NOSC7H7 |
ABCD7E7 |
60.07 |
5.77 |
-8.58 |
-0.88 |
0 |
|
|
145509 |
53536506 |
1 |
SN3O4H15C18 |
AB3C4D15E18 |
-65.49 |
5.89 |
-10.03 |
-1.48 |
0 |
|
|
145510 |
53536507 |
1 |
S2O4N5H17C18 |
A2B4C5D17E18 |
-42.76 |
9.36 |
-9.29 |
-1.32 |
0 |
|
|
145511 |
53536725 |
1 |
SN2F3O4H11C12 |
AB2C3D4E11F12 |
-266.43 |
4.85 |
-10.74 |
-1.82 |
0 |
|
|
145512 |
53536726 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-166.27 |
3.06 |
-9.52 |
0.23 |
0 |
|
|
145513 |
53536727 |
1 |
FN2O4C15H17 |
AB2C4D15E17 |
-198.43 |
4.54 |
-9.7 |
-0.99 |
0 |
|
|
145514 |
53536728 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-126.55 |
2.58 |
-9.39 |
0.02 |
0 |
|
|
145515 |
53536729 |
1 |
O2F3N3H14C16 |
A2B3C3D14E16 |
-149.56 |
6.32 |
-9.16 |
-0.77 |
0 |
|
|
145516 |
53536730 |
1 |
N2S2F3O3H13C16 |
A2B2C3D3E13F16 |
-210.41 |
6.96 |
-10.05 |
-1.75 |
0 |
|
|
145517 |
53536741 |
1 |
O2F3N3C15H26 |
A2B3C3D15E26 |
-256.72 |
2.52 |
-8.61 |
0.48 |
0 |
|
|
145518 |
53536742 |
1 |
SO2N3C17H29 |
AB2C3D17E29 |
-82.67 |
2.45 |
-9.05 |
-0.24 |
0 |
|
|
145519 |
53536743 |
1 |
F2N3C12H13 |
A2B3C12D13 |
-26.64 |
2.04 |
-9.54 |
-0.45 |
0 |
|
|
145520 |
53537061 |
1 |
SN2F3O3H15C19 |
AB2C3D3E15F19 |
-208.52 |
5.19 |
-9.01 |
-1.24 |
0 |
|
|
145521 |
53537129 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-92.58 |
3.04 |
-9.11 |
-0.58 |
0 |
|
|
145522 |
53537144 |
1 |
N5O5C23H29 |
A5B5C23D29 |
-192.48 |
9.1 |
-9.35 |
-1.61 |
0 |
|
|
145523 |
53537779 |
1 |
OSN6C13H16 |
ABC6D13E16 |
77.25 |
7.57 |
-8.93 |
-1.42 |
0 |
|
|
145524 |
53538042 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-118.27 |
5.45 |
-9.36 |
-0.46 |
0 |
|
|
145525 |
53538043 |
1 |
SN3O6C20H29 |
AB3C6D20E29 |
-172.13 |
5.49 |
-9.27 |
-1.07 |
0 |
|
|
145526 |
53538196 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-107.95 |
6.94 |
-9.37 |
-0.64 |
0 |
|
|
145527 |
53538228 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-200.94 |
5.32 |
-9.29 |
0.3 |
0 |
|
|
145528 |
53538312 |
1 |
N3O5C20H23 |
A3B5C20D23 |
-153.22 |
4.7 |
-8.64 |
-0.59 |
0 |
|
|
145529 |
53538881 |
2 |
NO2C9H12 |
AB2C9D12 |
-171.08 |
6.57 |
-9.11 |
0.08 |
0 |
|
|
145530 |
53539345 |
6 |
NC3H4 |
AB3C4 |
107.72 |
5.58 |
-8.88 |
-0.53 |
0 |
|
|
145531 |
53540054 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-121.18 |
6.38 |
-9.07 |
-0.19 |
0 |
|
|
145532 |
53540116 |
1 |
ON5C19H31 |
AB5C19D31 |
-10.14 |
1.79 |
-8.83 |
-0.22 |
0 |
|
|
145533 |
53540502 |
1 |
SN3O3C16H17 |
AB3C3D16E17 |
-51.51 |
7.22 |
-9.07 |
-0.64 |
0 |
|
|
145534 |
53540679 |
1 |
ClS2O3N4H9C10 |
AB2C3D4E9F10 |
-47.71 |
3.08 |
-9.7 |
-1.45 |
0 |
|
|
145535 |
53540903 |
1 |
O3N5C17H21 |
A3B5C17D21 |
-77.22 |
2.91 |
-8.7 |
-1.01 |
0 |
|
|
145536 |
53541537 |
1 |
FSO3N4C27H27 |
ABC3D4E27F27 |
-83.54 |
4.82 |
-8.7 |
-1.02 |
0 |
|
|
145537 |
53541538 |
1 |
ClFSO2N4H24C26 |
ABCD2E4F24G26 |
-58.38 |
6.23 |
-8.73 |
-1.02 |
0 |
|
|
145538 |
53541539 |
1 |
N5H11C12 |
A5B11C12 |
121.89 |
4.93 |
-8.81 |
-1.08 |
0 |
|
|
145539 |
53541959 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-63.12 |
5.06 |
-8.56 |
-0.2 |
0 |
|
|
145540 |
53542183 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-13.97 |
6.4 |
-8.96 |
-0.14 |
0 |
|
|
145541 |
53542749 |
1 |
FON6C17H17 |
ABC6D17E17 |
40.93 |
4.31 |
-9.11 |
-0.59 |
0 |
|
|
145542 |
53542756 |
1 |
O2N5C16H21 |
A2B5C16D21 |
15.68 |
3.01 |
-9.05 |
-0.3 |
0 |
|
|
145543 |
53542879 |
1 |
BrN2O2C15H23 |
AB2C2D15E23 |
-79.02 |
3.93 |
-8.43 |
-0.53 |
0 |
|
|
145544 |
53542880 |
1 |
ClSN2O3C14H21 |
ABC2D3E14F21 |
-111.84 |
5.54 |
-9.09 |
-0.23 |
0 |
|
|
145545 |
53542881 |
1 |
SO2F3N3H8C10 |
AB2C3D3E8F10 |
-163.1 |
10.4 |
-9.19 |
-0.81 |
0 |
|
|
145546 |
53543169 |
2 |
ON2C9H10 |
AB2C9D10 |
-29.06 |
1.3 |
-8.9 |
-0.82 |
0 |
|
|
145547 |
53543170 |
1 |
ON3C21H23 |
AB3C21D23 |
14.02 |
6.87 |
-9.02 |
-0.27 |
0 |
|
|
145548 |
53543171 |
1 |
FON3H18C20 |
ABC3D18E20 |
-3.5 |
3.15 |
-8.88 |
-0.42 |
0 |
|
|
145549 |
53543172 |
2 |
NOC8H12 |
ABC8D12 |
-63.03 |
4.09 |
-8.53 |
0.24 |
0 |
|
|
145550 |
53543173 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-18.69 |
3.61 |
-8.63 |
-0.9 |
0 |
|
|
145551 |
53543187 |
1 |
FN3O4H16C17 |
AB3C4D16E17 |
-147.85 |
6.1 |
-9.32 |
-1.28 |
0 |
|
|
145552 |
53543785 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-74.92 |
5.01 |
-8.63 |
-0.11 |
0 |
|
|
145553 |
53544331 |
1 |
OSN3C18H27 |
ABC3D18E27 |
-37.17 |
4.11 |
-8.49 |
0.27 |
0 |
|
|
145554 |
53544620 |
1 |
O2F3N3C16H22 |
A2B3C3D16E22 |
-225.35 |
1.97 |
-8.88 |
-0.68 |
0 |
|
|
145555 |
53544698 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-30.72 |
0.94 |
-9.49 |
-1.16 |
0 |
|
|
145556 |
53544781 |
1 |
ClF3N5C13H13 |
AB3C5D13E13 |
-104.87 |
4.21 |
-9.55 |
-1.13 |
0 |
|
|
145557 |
53544782 |
1 |
BrFON3C14H17 |
ABCD3E14F17 |
-27.99 |
3.93 |
-8.79 |
-0.38 |
0 |
|
|
145558 |
53545068 |
1 |
ClO2F3N3H13C14 |
AB2C3D3E13F14 |
-187.79 |
6.21 |
-9.61 |
-0.59 |
0 |
|
|
145559 |
53545069 |
1 |
SN3O3H21C22 |
AB3C3D21E22 |
-29.71 |
8.01 |
-9.33 |
-0.95 |
0 |
|
|
145560 |
53545257 |
2 |
ON2C8H12 |
AB2C8D12 |
-79.38 |
6.28 |
-9.28 |
-0.04 |
0 |
|
|
145561 |
53545258 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-13.02 |
4.93 |
-9.03 |
-0.6 |
0 |
|
|
145562 |
53545259 |
1 |
ClON4C19H23 |
ABC4D19E23 |
2.04 |
3.92 |
-9.07 |
-0.97 |
0 |
|
|
145563 |
53545260 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-92.46 |
4.99 |
-9.15 |
-0.82 |
0 |