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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
443269 |
135258335 |
1 |
IO3N4C11H13 |
AB3C4D11E13 |
-63.25 |
0.53 |
-8.72 |
-1.01 |
0 |
|
|
443270 |
135258340 |
1 |
S2O8N9C30H39 |
A2B8C9D30E39 |
-264.1 |
1.6 |
-9.21 |
-0.77 |
0 |
|
|
443271 |
135258341 |
1 |
O5C10H16 |
A5B10C16 |
-244.7 |
3.19 |
-9.98 |
0.55 |
0 |
|
|
443272 |
135258342 |
1 |
NO2C20H23 |
AB2C20D23 |
-52.3 |
4.67 |
-8.92 |
0.15 |
0 |
|
|
443273 |
135258353 |
2 |
O3C5H7 |
A3B5C7 |
-255.29 |
3.23 |
-9.99 |
-0.04 |
0 |
|
|
443274 |
135258359 |
1 |
O3N5C12H13 |
A3B5C12D13 |
-25.44 |
1.2 |
-9.2 |
-0.66 |
0 |
|
|
443275 |
135258365 |
1 |
PN5O5C11H16 |
AB5C5D11E16 |
-190.28 |
3.11 |
-9.07 |
-0.53 |
0 |
|
|
443276 |
135258366 |
1 |
BrO3N5C10H12 |
AB3C5D10E12 |
-80.65 |
2.47 |
-9.25 |
-0.85 |
0 |
|
|
443277 |
135258367 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-31.67 |
2.7 |
-8.37 |
0.25 |
0 |
|
|
443278 |
135258368 |
1 |
NOSC19H23 |
ABCD19E23 |
0.68 |
2.48 |
-8.42 |
0.12 |
0 |
|
|
443279 |
135258369 |
1 |
N5O8C24H33 |
A5B8C24D33 |
-317.04 |
3.01 |
-9.32 |
-0.78 |
0 |
|
|
443280 |
135258387 |
1 |
ON3C20H25 |
AB3C20D25 |
94.29 |
3.02 |
-9.35 |
-0.79 |
0 |
|
|
443281 |
135258391 |
1 |
N2O14C29H50 |
A2B14C29D50 |
-655.21 |
9.07 |
-9.79 |
-0.08 |
0 |
|
|
443282 |
135258392 |
2 |
NOSC6H12 |
ABCD6E12 |
-123.63 |
3.94 |
-9.27 |
-1.56 |
0 |
|
|
443283 |
135258393 |
1 |
N3O8C25H37 |
A3B8C25D37 |
-356.75 |
3.18 |
-9.69 |
-1.58 |
0 |
|
|
443284 |
135258394 |
1 |
N2O14C29H50 |
A2B14C29D50 |
-667.45 |
3.53 |
-9.6 |
-0.63 |
0 |
|
|
443285 |
135258395 |
4 |
OC4H6 |
AB4C6 |
-155.11 |
3.1 |
-9.25 |
0.43 |
0 |
|
|
443286 |
135258397 |
1 |
NO4C21H37 |
AB4C21D37 |
-233.68 |
1.72 |
-9.64 |
-0.04 |
0 |
|
|
443287 |
135258409 |
3 |
NO7C15H27 |
AB7C15D27 |
-1008.11 |
2.73 |
-8.86 |
0.88 |
0 |
|
|
443288 |
135258418 |
1 |
ClN3O3C9H12 |
AB3C3D9E12 |
-32.76 |
6.9 |
-8.46 |
-1.69 |
0 |
|
|
443289 |
135258419 |
1 |
Cl3N4O5H29C30 |
A3B4C5D29E30 |
-39.77 |
2.87 |
-9.24 |
-0.72 |
0 |
|
|
443290 |
135258420 |
1 |
NOC9H17 |
ABC9D17 |
-42.16 |
2.6 |
-9.12 |
0.75 |
0 |
|
|
443291 |
135258421 |
1 |
N2O3C9H10 |
A2B3C9D10 |
-70.5 |
3.7 |
-10.28 |
-1.2 |
0 |
|
|
443292 |
135258422 |
1 |
ClN2O3C9H9 |
AB2C3D9E9 |
-81.75 |
1.17 |
-10.68 |
-1.52 |
0 |
|
|
443293 |
135258423 |
1 |
N3C5H13 |
A3B5C13 |
15.41 |
2.68 |
-7.82 |
1.42 |
0 |
|
|
443294 |
135258446 |
1 |
ClF5N6H14C15 |
AB5C6D14E15 |
-165.04 |
4.24 |
-8.88 |
-0.84 |
0 |
|
|
443295 |
135258447 |
1 |
F3N6C16H21 |
A3B6C16D21 |
-109.79 |
5.84 |
-8.53 |
-0.52 |
0 |
|
|
443296 |
135258450 |
2 |
OF2N3C8H10 |
AB2C3D8E10 |
-236.85 |
3.7 |
-8.79 |
-0.7 |
0 |
|
|
443297 |
135258454 |
1 |
O2H20C25 |
A2B20C25 |
24.07 |
1.69 |
-8.63 |
-0.33 |
0 |
|
|
443298 |
135258465 |
1 |
NH51C56 |
AB51C56 |
150.81 |
2.28 |
-8.26 |
-0.39 |
0 |
|
|
443299 |
135258468 |
1 |
ClFNO2H21C24 |
ABCD2E21F24 |
12.13 |
2.53 |
-9.0 |
-0.53 |
0 |
|
|
443300 |
135258469 |
1 |
ClF2N4O5H25C29 |
AB2C4D5E25F29 |
-107.39 |
6.38 |
-9.36 |
-0.86 |
0 |
|
|
443301 |
135258486 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-113.28 |
1.61 |
-9.71 |
0.35 |
0 |
|
|
443302 |
135258489 |
1 |
ClN2O3H7C8 |
AB2C3D7E8 |
-55.28 |
2.24 |
-10.04 |
-1.46 |
0 |
|
|
443303 |
135258492 |
2 |
PO2C34H46 |
AB2C34D46 |
-245.26 |
1.49 |
-8.61 |
-0.54 |
0 |
|
|
443304 |
135258493 |
1 |
ClON4C10H11 |
ABC4D10E11 |
27.68 |
2.62 |
-8.38 |
-1.04 |
0 |
|
|
443305 |
135258494 |
1 |
ClN2F3O6H24C31 |
AB2C3D6E24F31 |
-225.51 |
3.4 |
-9.29 |
-1.09 |
0 |
|
|
443306 |
135258503 |
1 |
NCl2O5H25C30 |
AB2C5D25E30 |
-77.75 |
3.47 |
-8.94 |
-0.84 |
0 |
|
|
443307 |
135258508 |
1 |
OF3N5C29H52 |
AB3C5D29E52 |
-231.96 |
4.72 |
-8.29 |
-0.1 |
0 |
|
|
443308 |
135258521 |
1 |
N2Cl3O5H21C29 |
A2B3C5D21E29 |
-33.02 |
2.91 |
-9.36 |
-1.01 |
0 |
|
|
443309 |
135258524 |
1 |
NCl3O3H16C21 |
AB3C3D16E21 |
-21.28 |
2.43 |
-9.38 |
-0.85 |
0 |
|
|
443310 |
135258525 |
1 |
FN7C20H24 |
AB7C20D24 |
78.85 |
5.95 |
-8.48 |
-1.08 |
0 |
|
|
443311 |
135258526 |
1 |
N2Cl3O5H25C31 |
A2B3C5D25E31 |
-51.11 |
4.69 |
-9.36 |
-0.94 |
0 |
|
|
443312 |
135258527 |
1 |
I2N2C11H14 |
A2B2C11D14 |
52.62 |
2.05 |
-8.48 |
-2.4 |
0 |
|
|
443313 |
135258528 |
1 |
I2N2C9H16 |
A2B2C9D16 |
20.3 |
2.56 |
-8.54 |
-2.1 |
0 |
|
|
443314 |
135258529 |
2 |
INC5H9 |
ABC5D9 |
13.34 |
1.95 |
-8.46 |
-1.98 |
0 |
|
|
443315 |
135258534 |
1 |
ClOSN5C21H26 |
ABCD5E21F26 |
70.8 |
4.19 |
-8.62 |
-0.74 |
0 |
|
|
443316 |
135258540 |
1 |
I2N2C7H14 |
A2B2C7D14 |
17.56 |
2.56 |
-8.6 |
-2.19 |
0 |
|
|
443317 |
135258541 |
1 |
N2C11H22 |
A2B11C22 |
-9.18 |
2.96 |
-8.45 |
1.58 |
0 |
|
|
443318 |
135258556 |
1 |
ClN2O3H7C8 |
AB2C3D7E8 |
-51.29 |
3.71 |
-10.13 |
-1.42 |
0 |
|
|
443319 |
135258559 |
1 |
N3O3C7H9 |
A3B3C7D9 |
-10.68 |
4.47 |
-8.76 |
-1.6 |
0 |
|
|
443320 |
135258560 |
1 |
ClON6C19H21 |
ABC6D19E21 |
72.52 |
2.23 |
-8.41 |
-0.96 |
0 |
|
|
443321 |
135258561 |
1 |
N2O3C8H10 |
A2B3C8D10 |
-74.17 |
1.68 |
-10.4 |
-0.96 |
0 |
|
|
443322 |
135258562 |
1 |
ClN3O3C8H10 |
AB3C3D8E10 |
-23.84 |
5.52 |
-8.71 |
-1.79 |
0 |
|
|
443323 |
135258563 |
1 |
N2O4C9H14 |
A2B4C9D14 |
-140.79 |
1.58 |
-10.03 |
-0.56 |
0 |
|
|
443324 |
135258577 |
1 |
ClF2N3O5C34H34 |
AB2C3D5E34F34 |
-158.28 |
5.55 |
-9.18 |
-0.95 |
0 |
|
|
443325 |
135258596 |
1 |
ClON2C13H15 |
ABC2D13E15 |
-10.66 |
7.53 |
-9.31 |
-0.49 |
0 |
|
|
443326 |
135258597 |
1 |
NC12H25 |
AB12C25 |
-25.73 |
1.38 |
-8.91 |
2.64 |
0 |
|
|
443327 |
135258598 |
1 |
ON6C22H24 |
AB6C22D24 |
91.15 |
8.1 |
-8.37 |
-0.7 |
0 |
|
|
443328 |
135258599 |
1 |
SN6C22H28 |
AB6C22D28 |
99.84 |
4.83 |
-7.99 |
-0.23 |
0 |
|
|
443329 |
135258600 |
1 |
FON6C21H21 |
ABC6D21E21 |
59.33 |
6.13 |
-8.48 |
-1.06 |
0 |
|
|
443330 |
135258601 |
2 |
N3C12H16 |
A3B12C16 |
92.34 |
3.96 |
-8.04 |
-0.42 |
0 |
|
|
443331 |
135258608 |
1 |
ClON6C19H21 |
ABC6D19E21 |
74.25 |
1.89 |
-8.44 |
-0.92 |
0 |
|
|
443332 |
135258610 |
1 |
ON6C42H44 |
AB6C42D44 |
216.1 |
6.96 |
-7.24 |
-0.92 |
0 |
|
|
443333 |
135258613 |
1 |
I2N2C11H14 |
A2B2C11D14 |
54.2 |
1.41 |
-8.33 |
-2.4 |
0 |
|
|
443334 |
135258617 |
1 |
I2N2C13H18 |
A2B2C13D18 |
37.48 |
1.5 |
-8.36 |
-2.1 |
0 |
|
|
443335 |
135258625 |
1 |
I2N3C5H5 |
A2B3C5D5 |
85.37 |
4.36 |
-8.51 |
-2.64 |
0 |
|
|
443336 |
135258630 |
1 |
N2H36C49 |
A2B36C49 |
240.91 |
1.74 |
-7.89 |
-0.8 |
0 |
|
|
443337 |
135258634 |
1 |
I2N2C11H20 |
A2B2C11D20 |
7.52 |
2.1 |
-8.42 |
-1.94 |
0 |
|
|
443338 |
135258635 |
1 |
N2C13H20 |
A2B13C20 |
23.17 |
3.05 |
-8.3 |
0.63 |
0 |
|
|
443339 |
135258636 |
2 |
NC5H11 |
AB5C11 |
-17.04 |
2.75 |
-8.54 |
1.45 |
0 |
|
|
443340 |
135258637 |
2 |
NC6H12 |
AB6C12 |
-15.96 |
1.64 |
-8.62 |
1.33 |
0 |
|
|
443341 |
135258638 |
2 |
NC7H14 |
AB7C14 |
-23.6 |
1.42 |
-8.66 |
1.35 |
0 |
|
|
443342 |
135258639 |
1 |
N2C15H28 |
A2B15C28 |
-20.77 |
1.75 |
-8.53 |
1.43 |
0 |
|
|
443343 |
135258640 |
2 |
NC6H12 |
AB6C12 |
-18.09 |
2.81 |
-8.61 |
1.48 |
0 |
|
|
443344 |
135258647 |
2 |
NC7H11 |
AB7C11 |
21.88 |
3.08 |
-8.71 |
0.21 |
0 |
|
|
443345 |
135258654 |
1 |
IN3C6H8 |
AB3C6D8 |
60.55 |
2.43 |
-8.6 |
-2.42 |
0 |
|
|
443346 |
135258666 |
1 |
IN2C10H19 |
AB2C10D19 |
3.2 |
1.93 |
-8.64 |
-1.71 |
0 |
|
|
443347 |
135258668 |
1 |
N2C13H20 |
A2B13C20 |
18.73 |
3.36 |
-8.65 |
0.69 |
0 |
|
|
443348 |
135258669 |
2 |
NC7H11 |
AB7C11 |
21.88 |
2.97 |
-8.24 |
0.66 |
0 |
|
|
443349 |
135258670 |
2 |
NC8H13 |
AB8C13 |
8.09 |
3.29 |
-8.55 |
0.73 |
0 |
|
|
443350 |
135258671 |
2 |
NC7H11 |
AB7C11 |
12.43 |
2.41 |
-8.41 |
0.29 |
0 |
|
|
443351 |
135258672 |
1 |
IN2C14H21 |
AB2C14D21 |
23.4 |
2.41 |
-8.46 |
-1.43 |
0 |
|
|
443352 |
135258673 |
1 |
N2C9H20 |
A2B9C20 |
-7.65 |
1.78 |
-8.76 |
1.37 |
0 |
|
|
443353 |
135258688 |
1 |
SO4N5C24H25 |
AB4C5D24E25 |
-120.2 |
7.4 |
-8.72 |
-1.33 |
0 |
|
|
443354 |
135258689 |
1 |
SO3N7C28H33 |
AB3C7D28E33 |
-52.32 |
7.52 |
-8.44 |
-1.16 |
0 |
|
|
443355 |
135258695 |
1 |
ClSO3N7C27H30 |
ABC3D7E27F30 |
-46.05 |
10.86 |
-8.58 |
-1.44 |
0 |
|
|
443356 |
135258709 |
1 |
SN2O7H38C40 |
AB2C7D38E40 |
-223.54 |
0.73 |
-8.5 |
-0.72 |
0 |
|
|
443357 |
135258710 |
1 |
SO3N7C29H35 |
AB3C7D29E35 |
-58.84 |
6.76 |
-8.43 |
-1.1 |
0 |
|
|
443358 |
135258712 |
1 |
SO3N6C25H26 |
AB3C6D25E26 |
-37.92 |
5.89 |
-8.51 |
-1.21 |
0 |
|
|
443359 |
135258713 |
1 |
SO3N8C29H36 |
AB3C8D29E36 |
-51.06 |
5.89 |
-8.59 |
-1.35 |
0 |
|
|
443360 |
135258714 |
1 |
SO3N7C24H27 |
AB3C7D24E27 |
-54.06 |
5.75 |
-8.54 |
-1.21 |
0 |
|
|
443361 |
135258715 |
1 |
SO4N5C26H29 |
AB4C5D26E29 |
-132.11 |
5.03 |
-8.53 |
-1.21 |
0 |
|
|
443362 |
135258716 |
2 |
NOC8H9 |
ABC8D9 |
-68.75 |
3.9 |
-8.34 |
-0.41 |
0 |
|
|
443363 |
135258718 |
1 |
SO3N7H25C26 |
AB3C7D25E26 |
-3.51 |
7.26 |
-8.58 |
-1.27 |
0 |
|
|
443364 |
135258726 |
1 |
ClSO3N7C29H34 |
ABC3D7E29F34 |
-71.4 |
11.78 |
-8.54 |
-1.36 |
0 |
|
|
443365 |
135258731 |
1 |
ClS2O3N7C26H28 |
AB2C3D7E26F28 |
-40.25 |
7.34 |
-8.7 |
-1.56 |
0 |
|
|
443366 |
135258742 |
1 |
ON4H26C28 |
AB4C26D28 |
106.13 |
6.46 |
-8.82 |
-0.67 |
0 |
|
|
443367 |
135258743 |
1 |
N5C27H29 |
A5B27C29 |
109.53 |
5.87 |
-8.38 |
-0.29 |
0 |
|
|
443368 |
135258745 |
1 |
SO4N6C29H32 |
AB4C6D29E32 |
-101.23 |
7.91 |
-8.53 |
-1.21 |
0 |