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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
438532 |
135228275 |
1 |
ON7C15H15 |
AB7C15D15 |
143.47 |
4.46 |
-9.09 |
-0.95 |
0 |
|
|
438533 |
135228276 |
1 |
O3N4C13H14 |
A3B4C13D14 |
-51.17 |
4.58 |
-9.27 |
-0.98 |
0 |
|
|
438534 |
135228277 |
1 |
ON5H15C16 |
AB5C15D16 |
72.71 |
5.32 |
-9.4 |
-0.87 |
0 |
|
|
438535 |
135228278 |
1 |
N6H16C19 |
A6B16C19 |
140.38 |
4.41 |
-8.86 |
-1.08 |
0 |
|
|
438536 |
135228279 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-104.49 |
5.31 |
-9.62 |
0.02 |
0 |
|
|
438537 |
135228280 |
1 |
FON5C11H16 |
ABC5D11E16 |
-7.38 |
5.32 |
-8.93 |
-0.5 |
0 |
|
|
438538 |
135228281 |
1 |
FON5C11H16 |
ABC5D11E16 |
-8.46 |
4.34 |
-8.81 |
-0.39 |
0 |
|
|
438539 |
135228282 |
1 |
FON5C10H14 |
ABC5D10E14 |
-10.05 |
5.46 |
-8.39 |
-0.44 |
0 |
|
|
438540 |
135228283 |
1 |
ON6H20C23 |
AB6C20D23 |
147.98 |
9.65 |
-8.64 |
-0.73 |
0 |
|
|
438541 |
135228284 |
1 |
O3N5C21H31 |
A3B5C21D31 |
-119.13 |
2.79 |
-8.55 |
-0.1 |
0 |
|
|
438542 |
135228285 |
1 |
ON4C7H10 |
AB4C7D10 |
35.28 |
2.13 |
-7.9 |
-0.45 |
0 |
|
|
438543 |
135228286 |
1 |
O3N5C22H33 |
A3B5C22D33 |
-121.61 |
3.89 |
-8.28 |
0.16 |
0 |
|
|
438544 |
135228287 |
2 |
N2O2C6H7 |
A2B2C6D7 |
-98.33 |
5.89 |
-8.71 |
-0.61 |
0 |
|
|
438545 |
135228288 |
1 |
ClO2N6H17C18 |
AB2C6D17E18 |
39.85 |
5.83 |
-9.51 |
-1.34 |
0 |
|
|
438546 |
135228289 |
1 |
ClO2N5H18C19 |
AB2C5D18E19 |
27.63 |
4.62 |
-8.89 |
-1.28 |
0 |
|
|
438547 |
135228290 |
1 |
ClO2N6H19C21 |
AB2C6D19E21 |
128.08 |
5.02 |
-8.77 |
-1.74 |
0 |
|
|
438548 |
135228291 |
1 |
O2N6H24C27 |
A2B6C24D27 |
161.68 |
2.94 |
-8.7 |
-1.25 |
0 |
|
|
438549 |
135228292 |
1 |
N5O5C17H19 |
A5B5C17D19 |
-118.0 |
9.22 |
-8.88 |
-0.94 |
0 |
|
|
438550 |
135228293 |
1 |
FN5C7H8 |
AB5C7D8 |
49.11 |
5.75 |
-8.65 |
-0.68 |
0 |
|
|
438551 |
135228294 |
1 |
S3N13O13C42H73 |
A3B13C13D42E73 |
-641.75 |
6.62 |
-8.9 |
-0.03 |
0 |
|
|
438552 |
135228295 |
1 |
O3N6C21H34 |
A3B6C21D34 |
-131.78 |
3.83 |
-9.38 |
0.29 |
0 |
|
|
438553 |
135228296 |
1 |
ClON5H18C22 |
ABC5D18E22 |
106.39 |
4.91 |
-9.12 |
-1.24 |
0 |
|
|
438554 |
135228297 |
1 |
ON5C8H11 |
AB5C8D11 |
57.32 |
5.4 |
-8.13 |
-0.51 |
0 |
|
|
438555 |
135228298 |
1 |
O3N7C14H17 |
A3B7C14D17 |
11.83 |
2.46 |
-9.52 |
-0.64 |
0 |
|
|
438556 |
135228299 |
1 |
ON5C13H21 |
AB5C13D21 |
34.26 |
4.81 |
-8.54 |
-0.29 |
0 |
|
|
438557 |
135228300 |
1 |
N4O4C25H26 |
A4B4C25D26 |
82.02 |
5.76 |
-8.28 |
-0.96 |
0 |
|
|
438558 |
135228301 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-148.84 |
4.09 |
-8.66 |
-0.06 |
0 |
|
|
438559 |
135228302 |
1 |
ClO2N5C23H28 |
AB2C5D23E28 |
13.58 |
6.38 |
-8.54 |
-0.86 |
0 |
|
|
438560 |
135228303 |
1 |
ClO2N6C20H21 |
AB2C6D20E21 |
35.7 |
6.65 |
-8.82 |
-0.93 |
0 |
|
|
438561 |
135228304 |
1 |
ClON8H23C24 |
ABC8D23E24 |
156.83 |
4.26 |
-8.25 |
-0.96 |
0 |
|
|
438562 |
135228305 |
1 |
FO2N7H22C24 |
AB2C7D22E24 |
58.95 |
9.07 |
-9.05 |
-1.31 |
0 |
|
|
438563 |
135228307 |
1 |
OF3N6H17C24 |
AB3C6D17E24 |
22.49 |
8.92 |
-8.86 |
-1.33 |
0 |
|
|
438564 |
135228308 |
1 |
O3N5C21H31 |
A3B5C21D31 |
-115.92 |
4.13 |
-8.4 |
0.02 |
0 |
|
|
438565 |
135228309 |
1 |
ClFO2N6C26H26 |
ABC2D6E26F26 |
0.34 |
3.22 |
-9.32 |
-1.43 |
0 |
|
|
438566 |
135228310 |
1 |
N8O9C64H138 |
A8B9C64D138 |
-607.07 |
9.37 |
-8.14 |
1.99 |
0 |
|
|
438567 |
135228311 |
1 |
O3N6C25H26 |
A3B6C25D26 |
32.23 |
3.38 |
-9.08 |
-1.09 |
0 |
|
|
438568 |
135228312 |
1 |
IN2O2C16H17 |
AB2C2D16E17 |
-49.77 |
4.97 |
-8.97 |
-1.01 |
0 |
|
|
438569 |
135228313 |
1 |
SN2O15C47H76 |
AB2C15D47E76 |
-629.46 |
4.22 |
-7.14 |
-1.18 |
0 |
|
|
438570 |
135228314 |
1 |
NO4C21H21 |
AB4C21D21 |
-137.14 |
4.01 |
-8.47 |
-1.2 |
0 |
|
|
438571 |
135228315 |
1 |
IN2O3H13C15 |
AB2C3D13E15 |
-70.86 |
6.2 |
-8.82 |
-1.27 |
0 |
|
|
438572 |
135228316 |
1 |
SCl2N4C19H22 |
AB2C4D19E22 |
30.16 |
5.84 |
-8.54 |
-0.52 |
0 |
|
|
438573 |
135228317 |
1 |
OSF3N6C19H25 |
ABC3D6E19F25 |
-128.76 |
3.61 |
-8.45 |
-0.61 |
0 |
|
|
438574 |
135228318 |
1 |
SN2C9H18 |
AB2C9D18 |
-18.84 |
2.16 |
-8.65 |
0.58 |
0 |
|
|
438575 |
135228319 |
1 |
NSO4C14H25 |
ABC4D14E25 |
-220.02 |
7.2 |
-9.46 |
0.66 |
0 |
|
|
438576 |
135228320 |
1 |
ClN2O6C23H29 |
AB2C6D23E29 |
-254.95 |
1.43 |
-9.54 |
-1.53 |
0 |
|
|
438577 |
135228321 |
1 |
NO2C10H21 |
AB2C10D21 |
-125.83 |
4.0 |
-9.45 |
0.68 |
0 |
|
|
438578 |
135228322 |
1 |
NO2C19H21 |
AB2C19D21 |
-42.59 |
1.81 |
-8.39 |
-1.07 |
0 |
|
|
438579 |
135228323 |
4 |
NC23H33 |
AB23C33 |
8.89 |
3.75 |
-7.83 |
-0.68 |
0 |
|
|
438580 |
135228324 |
1 |
NO4C15H25 |
AB4C15D25 |
-212.27 |
2.19 |
-9.56 |
0.09 |
0 |
|
|
438581 |
135228325 |
1 |
SN2O4C18H34 |
AB2C4D18E34 |
-221.6 |
5.05 |
-8.57 |
0.5 |
0 |
|
|
438582 |
135228326 |
1 |
NO3C22H29 |
AB3C22D29 |
-111.03 |
8.09 |
-8.27 |
-0.67 |
0 |
|
|
438583 |
135228327 |
1 |
SN2F3C11H15 |
AB2C3D11E15 |
-156.9 |
2.55 |
-8.99 |
-0.81 |
0 |
|
|
438584 |
135228328 |
1 |
ClSN2C10H15 |
ABC2D10E15 |
0.23 |
2.73 |
-8.79 |
-0.46 |
0 |
|
|
438585 |
135228329 |
1 |
O3N4C17H36 |
A3B4C17D36 |
-188.11 |
3.55 |
-9.36 |
0.48 |
0 |
|
|
438586 |
135228330 |
1 |
SN2O4C17H30 |
AB2C4D17E30 |
-194.62 |
5.68 |
-8.26 |
0.34 |
0 |
|
|
438587 |
135228331 |
1 |
N2O5C26H32 |
A2B5C26D32 |
-175.32 |
1.34 |
-8.94 |
-0.29 |
0 |
|
|
438588 |
135228332 |
1 |
ON2C13H26 |
AB2C13D26 |
-83.03 |
2.98 |
-8.26 |
2.55 |
0 |
|
|
438589 |
135228333 |
1 |
ON2C12H24 |
AB2C12D24 |
-68.13 |
0.25 |
-8.38 |
2.05 |
0 |
|
|
438590 |
135228334 |
1 |
SN3O5C28H39 |
AB3C5D28E39 |
-209.3 |
2.98 |
-8.56 |
-1.15 |
0 |
|
|
438591 |
135228335 |
1 |
O2C15H20 |
A2B15C20 |
-4.83 |
4.04 |
-8.62 |
0.47 |
0 |
|
|
438592 |
135228336 |
1 |
ClFOS2N6C22H30 |
ABCD2E6F22G30 |
-37.39 |
9.2 |
-8.54 |
-0.74 |
0 |
|
|
438593 |
135228337 |
1 |
SF3N5C20H24 |
AB3C5D20E24 |
-113.36 |
9.17 |
-8.74 |
-0.82 |
0 |
|
|
438594 |
135228338 |
1 |
SF3N5C20H24 |
AB3C5D20E24 |
-112.54 |
8.91 |
-8.74 |
-0.83 |
0 |
|
|
438595 |
135228339 |
1 |
NO3C15H25 |
AB3C15D25 |
-177.77 |
3.61 |
-9.43 |
0.52 |
0 |
|
|
438596 |
135228340 |
1 |
Cl2N5C17H17 |
A2B5C17D17 |
151.25 |
2.24 |
-7.09 |
-1.68 |
0 |
|
|
438597 |
135228341 |
1 |
N2S2F6C21H24 |
A2B2C6D21E24 |
-313.83 |
9.09 |
-8.99 |
-1.0 |
0 |
|
|
438598 |
135228342 |
1 |
ON3C15H23 |
AB3C15D23 |
-27.37 |
6.06 |
-9.03 |
-0.54 |
0 |
|
|
438599 |
135228343 |
1 |
SCl2N5C17H21 |
AB2C5D17E21 |
41.72 |
3.72 |
-8.44 |
-0.54 |
0 |
|
|
438600 |
135228344 |
1 |
SCl2N5C17H21 |
AB2C5D17E21 |
43.77 |
3.51 |
-8.51 |
-0.55 |
0 |
|
|
438601 |
135228345 |
1 |
N4O5C33H54 |
A4B5C33D54 |
-270.41 |
9.61 |
-9.07 |
0.38 |
0 |
|
|
438602 |
135228346 |
1 |
O3N4C21H42 |
A3B4C21D42 |
-200.87 |
2.55 |
-9.2 |
0.31 |
0 |
|
|
438603 |
135228347 |
1 |
O3N4C17H36 |
A3B4C17D36 |
-185.32 |
2.59 |
-9.16 |
0.42 |
0 |
|
|
438604 |
135228348 |
2 |
N2O3C14H22 |
A2B3C14D22 |
-320.71 |
4.32 |
-9.04 |
0.01 |
0 |
|
|
438605 |
135228349 |
1 |
N17O26C82H107 |
A17B26C82D107 |
-1070.2 |
13.93 |
-9.05 |
-1.18 |
0 |
|
|
438606 |
135228350 |
1 |
S2C11H16 |
A2B11C16 |
2.02 |
2.13 |
-8.5 |
0.07 |
0 |
|
|
438607 |
135228351 |
1 |
NO11C27H29 |
AB11C27D29 |
-411.11 |
3.49 |
-8.92 |
-1.79 |
0 |
|
|
438608 |
135228352 |
1 |
O3N5C21H31 |
A3B5C21D31 |
-118.19 |
4.03 |
-7.97 |
0.3 |
0 |
|
|
438609 |
135228353 |
1 |
O3N5C22H33 |
A3B5C22D33 |
-120.08 |
6.13 |
-8.51 |
-0.05 |
0 |
|
|
438610 |
135228354 |
1 |
N5O7C39H67 |
A5B7C39D67 |
-364.74 |
8.84 |
-9.12 |
0.07 |
0 |
|
|
438611 |
135228355 |
1 |
N5O7C39H67 |
A5B7C39D67 |
-355.35 |
6.57 |
-8.8 |
-0.11 |
0 |
|
|
438612 |
135228356 |
2 |
NO2C7H11 |
AB2C7D11 |
-182.18 |
4.74 |
-9.44 |
-1.03 |
0 |
|
|
438613 |
135228357 |
1 |
O3N4C17H36 |
A3B4C17D36 |
-186.43 |
1.65 |
-9.02 |
0.21 |
0 |
|
|
438614 |
135228358 |
1 |
SN15O17C61H101 |
AB15C17D61E101 |
-792.37 |
12.58 |
-8.92 |
-0.2 |
0 |
|
|
438615 |
135228359 |
1 |
N3O5C18H31 |
A3B5C18D31 |
-256.33 |
8.44 |
-9.46 |
0.01 |
0 |
|
|
438617 |
135228361 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-22.53 |
3.26 |
-9.49 |
-0.35 |
0 |
|
|
438618 |
135228362 |
1 |
N14O14C63H100 |
A14B14C63D100 |
-604.61 |
12.72 |
-8.93 |
-0.26 |
0 |
|
|
438619 |
135228363 |
1 |
O3N5C24H37 |
A3B5C24D37 |
-133.26 |
3.31 |
-8.4 |
0.05 |
0 |
|
|
438620 |
135228364 |
1 |
N10O16C65H102 |
A10B16C65D102 |
-758.81 |
8.56 |
-8.93 |
-0.25 |
0 |
|
|
438621 |
135228365 |
1 |
S2O16N17C65H93 |
A2B16C17D65E93 |
-538.09 |
29.04 |
-7.37 |
-3.01 |
0 |
|
|
438623 |
135228367 |
1 |
N9O12C40H61 |
A9B12C40D61 |
-524.38 |
5.77 |
-9.09 |
-0.59 |
0 |
|
|
438624 |
135228368 |
1 |
ClSN3O10C39H58 |
ABC3D10E39F58 |
-447.66 |
7.63 |
-8.9 |
-0.52 |
0 |
|
|
438625 |
135228369 |
1 |
S2O3N5C22H33 |
A2B3C5D22E33 |
-116.09 |
6.15 |
-8.47 |
-0.8 |
0 |
|
|
438626 |
135228370 |
1 |
NO2C37H67 |
AB2C37D67 |
-210.53 |
3.78 |
-8.15 |
0.43 |
0 |
|
|
438627 |
135228371 |
1 |
O4N5C19H33 |
A4B5C19D33 |
-158.18 |
5.25 |
-9.46 |
-0.29 |
0 |
|
|
438628 |
135228372 |
1 |
N5O9C39H65 |
A5B9C39D65 |
-444.56 |
3.88 |
-8.99 |
0.02 |
0 |
|
|
438629 |
135228373 |
1 |
O3N4C17H36 |
A3B4C17D36 |
-185.12 |
0.4 |
-9.09 |
0.29 |
0 |
|
|
438630 |
135228374 |
1 |
O5N6C17H32 |
A5B6C17D32 |
-246.74 |
4.76 |
-9.24 |
-0.02 |
0 |
|
|
438631 |
135228375 |
2 |
NOC7H10 |
ABC7D10 |
-92.53 |
3.39 |
-9.46 |
0.31 |
0 |
|
|
438632 |
135228376 |
1 |
N5O6C33H51 |
A5B6C33D51 |
-308.79 |
4.56 |
-8.4 |
0.05 |
0 |
|
|
438633 |
135228377 |
1 |
O6N8C25H48 |
A6B8C25D48 |
-271.71 |
12.59 |
-8.46 |
0.72 |
0 |