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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
150583 |
53790276 |
1 |
ClN3C23H26 |
AB3C23D26 |
55.34 |
2.76 |
-8.19 |
-0.34 |
0 |
|
|
150584 |
53790277 |
1 |
O4C15H28 |
A4B15C28 |
-250.77 |
2.25 |
-10.97 |
0.48 |
0 |
|
|
150585 |
53790278 |
1 |
PSN3C5H16 |
ABC3D5E16 |
-47.9 |
3.46 |
-8.79 |
0.17 |
0 |
|
|
150586 |
53790279 |
1 |
C29H50 |
A29B50 |
-46.66 |
0.28 |
-9.75 |
3.19 |
1 |
|
|
150587 |
53790280 |
1 |
N3O4C17H22 |
A3B4C17D22 |
-160.51 |
3.48 |
0.0 |
0.0 |
0 |
|
|
150588 |
53790281 |
1 |
ClN3O6C31H40 |
AB3C6D31E40 |
-210.86 |
4.25 |
-8.5 |
-0.68 |
0 |
|
|
150589 |
53790282 |
1 |
O5C11H20 |
A5B11C20 |
-250.01 |
1.81 |
-10.12 |
1.34 |
0 |
|
|
150590 |
53790283 |
1 |
O5C11H20 |
A5B11C20 |
-249.69 |
1.48 |
-10.04 |
1.13 |
0 |
|
|
150591 |
53790284 |
1 |
O5C11H20 |
A5B11C20 |
-250.2 |
1.67 |
-10.12 |
1.31 |
0 |
|
|
150592 |
53790285 |
1 |
O5C11H20 |
A5B11C20 |
-250.21 |
1.76 |
-10.11 |
1.31 |
0 |
|
|
150593 |
53790286 |
2 |
NOC5H5 |
ABC5D5 |
-33.47 |
4.75 |
-9.1 |
-0.72 |
0 |
|
|
150594 |
53790287 |
1 |
N3O4C35H51 |
A3B4C35D51 |
-179.04 |
2.12 |
-7.88 |
-0.14 |
0 |
|
|
150595 |
53790288 |
1 |
SiC6H6 |
AB6C6 |
151.27 |
2.0 |
-7.86 |
-1.43 |
0 |
|
|
150596 |
53790289 |
1 |
SN2C8H14 |
AB2C8D14 |
20.83 |
2.31 |
-8.38 |
-0.1 |
0 |
|
|
150597 |
53790290 |
1 |
O3N6C29H30 |
A3B6C29D30 |
-2.57 |
6.01 |
-8.79 |
-0.88 |
0 |
|
|
150598 |
53790291 |
1 |
ON3C19H27 |
AB3C19D27 |
-27.59 |
5.43 |
-8.41 |
0.32 |
0 |
|
|
150599 |
53790292 |
1 |
ClOF4H17C22 |
ABC4D17E22 |
-191.64 |
1.85 |
-9.1 |
-0.53 |
0 |
|
|
150600 |
53790293 |
1 |
ON3C20H33 |
AB3C20D33 |
-27.15 |
1.76 |
-8.66 |
0.66 |
0 |
|
|
150601 |
53790294 |
1 |
Cl4S5N10O40C213H314 |
A4B5C10D40E213F314 |
-1952.32 |
15.74 |
-9.03 |
-1.52 |
0 |
|
|
150602 |
53790295 |
1 |
SN2O8C41H62 |
AB2C8D41E62 |
-381.78 |
7.64 |
-9.35 |
-1.15 |
0 |
|
|
150603 |
53790296 |
1 |
ClSN2O8C41H61 |
ABC2D8E41F61 |
-386.46 |
8.36 |
-9.09 |
-1.18 |
0 |
|
|
150604 |
53790297 |
1 |
ClSN2O8C42H63 |
ABC2D8E42F63 |
-382.95 |
6.18 |
-9.69 |
-1.34 |
0 |
|
|
150605 |
53790298 |
1 |
ClSN2O8C43H63 |
ABC2D8E43F63 |
-386.66 |
8.8 |
-9.33 |
-1.26 |
0 |
|
|
150606 |
53790299 |
1 |
ClSN2O8C46H65 |
ABC2D8E46F65 |
-391.95 |
6.27 |
-9.39 |
-1.2 |
0 |
|
|
150607 |
53790300 |
1 |
NO2C12H13 |
AB2C12D13 |
-64.7 |
2.35 |
-8.59 |
-0.26 |
0 |
|
|
150608 |
53790301 |
1 |
NCl2O2H9C10 |
AB2C2D9E10 |
-59.05 |
3.4 |
-10.18 |
-1.48 |
0 |
|
|
150609 |
53790302 |
1 |
NI2O3H13C15 |
AB2C3D13E15 |
-31.98 |
4.11 |
-8.72 |
-2.55 |
0 |
|
|
150610 |
53790303 |
1 |
SN3C5H9 |
AB3C5D9 |
85.15 |
4.38 |
-8.86 |
-0.92 |
0 |
|
|
150611 |
53790304 |
1 |
S2O7N9H21C24 |
A2B7C9D21E24 |
-95.94 |
7.67 |
-8.81 |
-2.04 |
0 |
|
|
150612 |
53790305 |
2 |
OSN2C10H12 |
ABC2D10E12 |
-4.11 |
3.0 |
-8.75 |
-0.92 |
0 |
|
|
150613 |
53790306 |
1 |
O3N4H16C19 |
A3B4C16D19 |
42.76 |
5.86 |
-9.41 |
-1.66 |
0 |
|
|
150614 |
53790307 |
1 |
O13C30H40 |
A13B30C40 |
-555.32 |
5.92 |
-9.06 |
-0.27 |
0 |
|
|
150615 |
53790308 |
1 |
ClN2O3H17C20 |
AB2C3D17E20 |
-27.64 |
4.72 |
-8.09 |
-0.87 |
0 |
|
|
150616 |
53790309 |
1 |
S3O6N9H17C19 |
A3B6C9D17E19 |
24.34 |
5.97 |
-9.29 |
-1.3 |
0 |
|
|
150617 |
53790310 |
1 |
NO4C21H37 |
AB4C21D37 |
-208.08 |
6.78 |
-9.19 |
0.63 |
0 |
|
|
150618 |
53790311 |
1 |
NO4C21H37 |
AB4C21D37 |
-209.48 |
5.72 |
-8.66 |
0.72 |
0 |
|
|
150619 |
53790312 |
1 |
NO4C21H37 |
AB4C21D37 |
-201.14 |
2.97 |
-9.17 |
0.47 |
0 |
|
|
150620 |
53790313 |
2 |
O3C13H21 |
A3B13C21 |
-242.26 |
5.28 |
-9.98 |
0.63 |
0 |
|
|
150621 |
53790314 |
1 |
OCl2N2H6C10 |
AB2C2D6E10 |
4.58 |
4.61 |
-10.2 |
-1.92 |
0 |
|
|
150622 |
53790315 |
2 |
C8H17 |
A8B17 |
-89.12 |
0.08 |
-10.57 |
4.05 |
0 |
|
|
150623 |
53790316 |
1 |
OSC15H22 |
ABC15D22 |
-33.23 |
1.96 |
-8.88 |
-0.44 |
0 |
|
|
150624 |
53790317 |
1 |
SiC6H11 |
AB6C11 |
23.04 |
1.27 |
0.0 |
0.0 |
0 |
|
|
150625 |
53790318 |
1 |
C25H26 |
A25B26 |
51.24 |
0.39 |
-9.09 |
0.26 |
0 |
|
|
150626 |
53790319 |
1 |
NO2C14H17 |
AB2C14D17 |
-46.65 |
3.69 |
-8.82 |
-0.36 |
0 |
|
|
150627 |
53790320 |
1 |
O2N3C6H11 |
A2B3C6D11 |
-90.47 |
2.48 |
-9.77 |
0.34 |
0 |
|
|
150628 |
53790321 |
1 |
ClO6C34H51 |
AB6C34D51 |
-296.5 |
4.51 |
-8.62 |
-0.88 |
0 |
|
|
150629 |
53790322 |
1 |
ClN2O4C24H29 |
AB2C4D24E29 |
-157.61 |
3.62 |
-8.75 |
-0.39 |
0 |
|
|
150630 |
53790323 |
1 |
SN5O5C24H29 |
AB5C5D24E29 |
-101.81 |
8.68 |
-9.06 |
-1.26 |
0 |
|
|
150631 |
53790324 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-108.03 |
3.0 |
-8.16 |
0.26 |
0 |
|
|
150632 |
53790325 |
1 |
S2N5O7C32H45 |
A2B5C7D32E45 |
-323.69 |
8.41 |
-9.19 |
-0.06 |
0 |
|
|
150633 |
53790326 |
1 |
S2N5O7C32H45 |
A2B5C7D32E45 |
-324.98 |
9.22 |
-8.94 |
-0.15 |
0 |
|
|
150634 |
53790327 |
1 |
O7C39H54 |
A7B39C54 |
-306.65 |
5.21 |
-8.68 |
-0.74 |
0 |
|
|
150635 |
53790328 |
1 |
Si2O4S7C16H38 |
A2B4C7D16E38 |
-355.17 |
4.16 |
-8.55 |
-2.01 |
0 |
|
|
150636 |
53790329 |
1 |
N2S2O6C19H26 |
A2B2C6D19E26 |
-192.68 |
3.67 |
-9.42 |
-1.08 |
0 |
|
|
150637 |
53790330 |
1 |
Cl2N3O4H15C21 |
A2B3C4D15E21 |
-116.45 |
9.95 |
-9.48 |
-1.25 |
0 |
|
|
150638 |
53790331 |
1 |
Br2O3H14C16 |
A2B3C14D16 |
-80.05 |
2.2 |
-9.7 |
-1.25 |
0 |
|
|
150639 |
53790332 |
1 |
F3C23H29 |
A3B23C29 |
-120.08 |
4.95 |
-9.58 |
-0.74 |
0 |
|
|
150640 |
53790333 |
1 |
FSN3O5C27H32 |
ABC3D5E27F32 |
-189.43 |
7.67 |
-8.52 |
-1.08 |
0 |
|
|
150641 |
53790335 |
1 |
FO2N4H29C32 |
AB2C4D29E32 |
46.88 |
7.03 |
-8.38 |
-0.57 |
0 |
|
|
150642 |
53790336 |
2 |
SN3O3C10H10 |
AB3C3D10E10 |
-134.85 |
4.45 |
-9.3 |
-1.38 |
0 |
|
|
150643 |
53790337 |
1 |
NOC23H39 |
ABC23D39 |
-91.32 |
2.17 |
-8.66 |
2.27 |
0 |
|
|
150644 |
53790338 |
1 |
NOC23H39 |
ABC23D39 |
-91.22 |
2.15 |
-8.72 |
2.24 |
0 |
|
|
150645 |
53790339 |
1 |
O3C20H34 |
A3B20C34 |
-153.3 |
5.0 |
-9.54 |
-0.91 |
0 |
|
|
150646 |
53790340 |
1 |
O3C20H34 |
A3B20C34 |
-153.0 |
7.56 |
-9.73 |
-0.85 |
0 |
|
|
150647 |
53790341 |
1 |
O5C29H44 |
A5B29C44 |
-244.36 |
4.4 |
-8.55 |
0.14 |
0 |
|
|
150648 |
53790342 |
1 |
O5C29H44 |
A5B29C44 |
-243.96 |
2.96 |
-8.96 |
0.24 |
0 |
|
|
150649 |
53790343 |
2 |
O2C5H8 |
A2B5C8 |
-179.06 |
4.28 |
-11.31 |
-1.46 |
0 |
|
|
150650 |
53790344 |
1 |
SN2O2H8C12 |
AB2C2D8E12 |
-0.3 |
10.82 |
-8.01 |
-2.1 |
0 |
|
|
150651 |
53790345 |
1 |
BrO4C21H35 |
AB4C21D35 |
-216.39 |
3.92 |
-9.97 |
-0.35 |
0 |
|
|
150652 |
53790346 |
1 |
N2O3C39H78 |
A2B3C39D78 |
-298.43 |
2.79 |
-9.75 |
0.55 |
0 |
|
|
150653 |
53790347 |
1 |
PO4C18H33 |
AB4C18D33 |
-248.31 |
6.11 |
-9.14 |
0.83 |
0 |
|
|
150654 |
53790348 |
1 |
BrClO4H14C17 |
ABC4D14E17 |
-102.64 |
2.18 |
-9.13 |
-0.77 |
0 |
|
|
150655 |
53790349 |
2 |
O2F4H4C5 |
A2B4C4D5 |
-561.91 |
5.25 |
-11.71 |
-1.89 |
0 |
|
|
150656 |
53790350 |
1 |
N2O3H54C59 |
A2B3C54D59 |
54.93 |
2.16 |
-7.94 |
-0.6 |
0 |
|
|
150657 |
53790351 |
1 |
N3O11C40H67 |
A3B11C40D67 |
-447.33 |
4.63 |
-8.53 |
-0.36 |
0 |
|
|
150658 |
53790352 |
1 |
SF2O4N5C23H31 |
AB2C4D5E23F31 |
-234.55 |
3.74 |
-8.82 |
-0.6 |
0 |
|
|
150659 |
53790353 |
1 |
ClSN5H20C23 |
ABC5D20E23 |
114.77 |
2.64 |
-8.23 |
-0.63 |
0 |
|
|
150660 |
53790354 |
1 |
O3C40H58 |
A3B40C58 |
-168.52 |
2.84 |
-8.39 |
-0.49 |
0 |
|
|
150661 |
53790355 |
1 |
FNO3H14C17 |
ABC3D14E17 |
-126.16 |
5.43 |
-8.72 |
-0.47 |
0 |
|
|
150662 |
53790356 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-28.8 |
4.13 |
-8.64 |
-0.92 |
1 |
|
|
150663 |
53790357 |
1 |
N3O3H12C13 |
A3B3C12D13 |
-52.68 |
1.28 |
0.0 |
0.0 |
0 |
|
|
150664 |
53790358 |
1 |
NSO4C13H15 |
ABC4D13E15 |
-136.38 |
6.77 |
-8.64 |
-0.28 |
0 |
|
|
150665 |
53790359 |
1 |
NO4C8H11 |
AB4C8D11 |
-114.38 |
3.46 |
-9.56 |
-0.79 |
1 |
|
|
150666 |
53790360 |
1 |
N3O5C18H20 |
A3B5C18D20 |
-89.55 |
7.01 |
0.0 |
0.0 |
0 |
|
|
150667 |
53790361 |
1 |
FN2O4H21C23 |
AB2C4D21E23 |
-111.63 |
0.89 |
-8.74 |
-0.84 |
1 |
|
|
150668 |
53790362 |
1 |
N3O4H16C18 |
A3B4C16D18 |
-44.15 |
2.07 |
0.0 |
0.0 |
0 |
|
|
150669 |
53790363 |
1 |
ON2C8H20 |
AB2C8D20 |
-65.89 |
4.04 |
-8.8 |
2.74 |
0 |
|
|
150670 |
53790364 |
1 |
C29H40 |
A29B40 |
60.46 |
0.25 |
-8.61 |
-0.38 |
0 |
|
|
150671 |
53790365 |
1 |
IO4C13H13 |
AB4C13D13 |
-109.55 |
1.71 |
-9.81 |
-1.21 |
0 |
|
|
150672 |
53790366 |
1 |
O3C20H30 |
A3B20C30 |
-149.86 |
4.54 |
-9.18 |
-0.1 |
0 |
|
|
150673 |
53790367 |
1 |
NOC20H41 |
ABC20D41 |
-147.32 |
4.32 |
-9.2 |
1.36 |
0 |
|
|
150674 |
53790368 |
1 |
NCl2O5H17C24 |
AB2C5D17E24 |
-113.27 |
6.76 |
-8.48 |
-0.92 |
0 |
|
|
150675 |
53790369 |
1 |
ON5C10H27 |
AB5C10D27 |
-51.49 |
1.45 |
-9.03 |
2.1 |
0 |
|
|
150676 |
53790370 |
1 |
O2C23H28 |
A2B23C28 |
-17.15 |
2.19 |
-9.09 |
0.25 |
0 |
|
|
150677 |
53790371 |
1 |
NO4C25H39 |
AB4C25D39 |
-117.99 |
5.73 |
-9.67 |
-0.92 |
0 |
|
|
150678 |
53790372 |
1 |
NO2C17H19 |
AB2C17D19 |
-43.76 |
3.37 |
-9.29 |
0.16 |
1 |
|
|
150679 |
53790373 |
1 |
NPSiO9C37H47 |
ABCD9E37F47 |
-297.19 |
4.29 |
0.0 |
0.0 |
0 |
|
|
150680 |
53790374 |
1 |
ON4C10H18 |
AB4C10D18 |
34.89 |
4.26 |
-9.45 |
-0.93 |
0 |
|
|
150681 |
53790375 |
1 |
O4N5C24H39 |
A4B5C24D39 |
-182.67 |
3.06 |
-9.29 |
-0.05 |
1 |
|
|
150682 |
53790376 |
1 |
NO2C15H26 |
AB2C15D26 |
-41.29 |
4.55 |
0.0 |
0.0 |
0 |