List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
439545 |
135229321 |
1 |
NC18H37 |
AB18C37 |
-69.49 |
1.61 |
-8.71 |
3.29 |
0 |
|
|
439546 |
135229322 |
1 |
N3C4H11 |
A3B4C11 |
17.55 |
2.28 |
-8.45 |
1.06 |
0 |
|
|
439547 |
135229323 |
1 |
O2C19H28 |
A2B19C28 |
-102.7 |
1.63 |
-8.89 |
0.48 |
0 |
|
|
439548 |
135229324 |
1 |
O2C9H14 |
A2B9C14 |
-67.92 |
3.23 |
-7.96 |
0.66 |
0 |
|
|
439549 |
135229325 |
1 |
FN3C27H40 |
AB3C27D40 |
-52.74 |
1.77 |
-8.3 |
-0.64 |
0 |
|
|
439550 |
135229326 |
1 |
FN2O3H19C22 |
AB2C3D19E22 |
-92.73 |
7.2 |
-8.71 |
-1.5 |
0 |
|
|
439551 |
135229327 |
1 |
NOC17H35 |
ABC17D35 |
-114.01 |
3.31 |
-8.97 |
2.75 |
0 |
|
|
439552 |
135229328 |
1 |
FN2O4H15C20 |
AB2C4D15E20 |
-125.66 |
6.08 |
-8.89 |
-1.71 |
0 |
|
|
439553 |
135229329 |
1 |
NSC7H15 |
ABC7D15 |
-21.36 |
1.57 |
-8.83 |
0.29 |
0 |
|
|
439554 |
135229330 |
3 |
O3N7C24H29 |
A3B7C24D29 |
29.79 |
11.65 |
-7.52 |
-0.47 |
0 |
|
|
439555 |
135229331 |
1 |
NOC18H37 |
ABC18D37 |
-108.11 |
1.23 |
-8.99 |
2.23 |
0 |
|
|
439556 |
135229332 |
1 |
FN2O3H19C23 |
AB2C3D19E23 |
-73.86 |
6.8 |
-8.75 |
-1.54 |
0 |
|
|
439557 |
135229333 |
1 |
FN2O3H15C21 |
AB2C3D15E21 |
-61.54 |
5.75 |
-8.79 |
-1.67 |
0 |
|
|
439558 |
135229334 |
1 |
PO2C10H15 |
AB2C10D15 |
-68.14 |
2.42 |
-8.63 |
0.31 |
0 |
|
|
439559 |
135229335 |
1 |
NSC8H15 |
ABC8D15 |
-12.79 |
1.36 |
-8.0 |
0.43 |
0 |
|
|
439560 |
135229336 |
1 |
NPO3C15H18 |
ABC3D15E18 |
-92.81 |
4.9 |
-8.76 |
-0.65 |
0 |
|
|
439561 |
135229337 |
1 |
OF2N3C14H17 |
AB2C3D14E17 |
-84.3 |
4.98 |
-8.91 |
-1.02 |
0 |
|
|
439562 |
135229338 |
1 |
SC13H22 |
AB13C22 |
-18.66 |
1.04 |
-8.96 |
0.06 |
0 |
|
|
439563 |
135229339 |
2 |
FNO2H9C11 |
ABC2D9E11 |
-176.6 |
7.05 |
-8.83 |
-1.54 |
0 |
|
|
439564 |
135229340 |
1 |
SF2N2O2H12C18 |
AB2C2D2E12F18 |
-81.78 |
4.6 |
-8.98 |
-1.68 |
0 |
|
|
439565 |
135229341 |
1 |
ClFN2O2H16C24 |
ABC2D2E16F24 |
-36.01 |
5.58 |
-8.76 |
-1.74 |
0 |
|
|
439566 |
135229342 |
1 |
ClFN2O2H18C21 |
ABC2D2E18F21 |
-59.47 |
2.57 |
-8.34 |
-0.73 |
0 |
|
|
439567 |
135229343 |
1 |
FN2O4H21C22 |
AB2C4D21E22 |
-128.99 |
4.01 |
-8.68 |
-0.93 |
0 |
|
|
439568 |
135229344 |
1 |
F2N2O3H14C20 |
A2B2C3D14E20 |
-135.27 |
6.86 |
-8.82 |
-1.66 |
0 |
|
|
439569 |
135229345 |
1 |
F2O2N3H13C19 |
A2B2C3D13E19 |
-79.75 |
8.29 |
-8.89 |
-1.76 |
0 |
|
|
439570 |
135229346 |
2 |
FNO2C12H13 |
ABC2D12E13 |
-195.32 |
3.23 |
-8.57 |
-0.96 |
0 |
|
|
439571 |
135229347 |
1 |
SO3N9C39H43 |
AB3C9D39E43 |
33.55 |
4.83 |
-8.3 |
-0.79 |
0 |
|
|
439572 |
135229348 |
1 |
OSN5C21H27 |
ABC5D21E27 |
29.96 |
2.46 |
-8.28 |
-0.64 |
0 |
|
|
439573 |
135229349 |
1 |
IN2C6H7 |
AB2C6D7 |
58.34 |
4.58 |
-8.18 |
-0.71 |
0 |
|
|
439574 |
135229350 |
1 |
SN3C8H11 |
AB3C8D11 |
60.29 |
3.95 |
-8.59 |
-0.45 |
0 |
|
|
439575 |
135229351 |
1 |
ClFSO2N8H34C35 |
ABCD2E8F34G35 |
14.92 |
5.13 |
-8.42 |
-0.86 |
0 |
|
|
439576 |
135229352 |
1 |
FSO2N8C37H37 |
ABC2D8E37F37 |
38.33 |
8.51 |
-8.39 |
-0.81 |
0 |
|
|
439577 |
135229353 |
1 |
FSN4C23H35 |
ABC4D23E35 |
-37.04 |
2.71 |
-8.63 |
-1.03 |
0 |
|
|
439578 |
135229354 |
1 |
N4C13H18 |
A4B13C18 |
55.41 |
3.58 |
-9.12 |
-0.39 |
0 |
|
|
439579 |
135229355 |
1 |
O2N7C22H31 |
A2B7C22D31 |
25.53 |
4.45 |
-7.92 |
-0.18 |
0 |
|
|
439580 |
135229356 |
1 |
O2S2N5H23C26 |
A2B2C5D23E26 |
97.4 |
5.93 |
-9.16 |
-1.13 |
0 |
|
|
439581 |
135229357 |
1 |
O2S2N7C30H35 |
A2B2C7D30E35 |
30.78 |
10.05 |
-8.54 |
-0.69 |
0 |
|
|
439582 |
135229358 |
1 |
O6N14C45H58 |
A6B14C45D58 |
-49.24 |
13.2 |
-7.93 |
-0.39 |
0 |
|
|
439583 |
135229359 |
1 |
O2S2N5H17C18 |
A2B2C5D17E18 |
54.73 |
4.72 |
-9.44 |
-1.21 |
0 |
|
|
439584 |
135229360 |
1 |
OS2N7C28H33 |
AB2C7D28E33 |
97.45 |
7.27 |
-8.36 |
-1.17 |
0 |
|
|
439585 |
135229361 |
2 |
O3N7C22H27 |
A3B7C22D27 |
-2.51 |
7.39 |
-7.6 |
-0.46 |
0 |
|
|
439586 |
135229362 |
1 |
FO2N9C22H26 |
AB2C9D22E26 |
71.48 |
1.15 |
-8.1 |
-0.29 |
0 |
|
|
439587 |
135229363 |
1 |
O3N9C34H39 |
A3B9C34D39 |
28.09 |
6.67 |
-8.41 |
-0.84 |
0 |
|
|
439588 |
135229364 |
1 |
O3N7C23H31 |
A3B7C23D31 |
-38.1 |
5.69 |
-8.22 |
-0.23 |
0 |
|
|
439589 |
135229365 |
2 |
ON3C6H7 |
AB3C6D7 |
16.87 |
2.64 |
-7.71 |
-0.31 |
0 |
|
|
439590 |
135229366 |
1 |
O2N6C19H20 |
A2B6C19D20 |
59.62 |
4.84 |
-7.73 |
-0.14 |
0 |
|
|
439591 |
135229367 |
1 |
FO3N8C22H31 |
AB3C8D22E31 |
-91.79 |
6.61 |
-7.86 |
-0.27 |
0 |
|
|
439592 |
135229368 |
1 |
SO2N9C38H39 |
AB2C9D38E39 |
124.71 |
6.95 |
-8.54 |
-0.81 |
0 |
|
|
439593 |
135229369 |
1 |
O3N7C24H29 |
A3B7C24D29 |
30.53 |
4.65 |
-8.01 |
-0.23 |
0 |
|
|
439594 |
135229370 |
1 |
OSC5H8 |
ABC5D8 |
-34.94 |
1.25 |
-8.91 |
0.23 |
0 |
|
|
439595 |
135229371 |
1 |
FO2N9C19H24 |
AB2C9D19E24 |
13.47 |
5.08 |
-8.16 |
-0.38 |
0 |
|
|
439596 |
135229372 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-13.21 |
2.83 |
-8.47 |
-0.75 |
0 |
|
|
439597 |
135229373 |
1 |
OSN3C15H25 |
ABC3D15E25 |
-35.01 |
4.35 |
-8.61 |
-0.16 |
0 |
|
|
439598 |
135229374 |
1 |
SN4C14H22 |
AB4C14D22 |
43.04 |
5.21 |
-8.25 |
0.09 |
0 |
|
|
439599 |
135229376 |
1 |
O3N7C22H27 |
A3B7C22D27 |
5.22 |
6.15 |
-8.42 |
-0.37 |
0 |
|
|
439600 |
135229378 |
1 |
FO2N9C18H22 |
AB2C9D18E22 |
19.29 |
2.44 |
-8.36 |
-0.59 |
0 |
|
|
439601 |
135229379 |
1 |
FON7C16H20 |
ABC7D16E20 |
16.68 |
4.86 |
-7.87 |
-0.24 |
0 |
|
|
439602 |
135229380 |
1 |
FC11H11 |
AB11C11 |
-1.6 |
2.63 |
-9.35 |
-0.03 |
1 |
|
|
439603 |
135229381 |
1 |
NOC9H12 |
ABC9D12 |
25.94 |
4.12 |
0.0 |
0.0 |
0 |
|
|
439604 |
135229382 |
1 |
NC10H17 |
AB10C17 |
12.35 |
1.47 |
-8.49 |
0.84 |
0 |
|
|
439605 |
135229383 |
1 |
OS2N3C15H23 |
AB2C3D15E23 |
-12.72 |
2.88 |
-8.56 |
-0.12 |
0 |
|
|
439606 |
135229385 |
1 |
FN2H11C12 |
AB2C11D12 |
7.39 |
1.01 |
-9.16 |
-0.86 |
0 |
|
|
439607 |
135229386 |
1 |
N3C27H41 |
A3B27C41 |
-2.31 |
2.63 |
-8.1 |
-0.54 |
0 |
|
|
439608 |
135229392 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-53.23 |
5.74 |
-8.51 |
-0.08 |
0 |
|
|
439609 |
135229393 |
1 |
NO2H43C70 |
AB2C43D70 |
239.6 |
1.14 |
-7.86 |
-0.7 |
0 |
|
|
439610 |
135229396 |
1 |
FNC17H34 |
ABC17D34 |
-118.68 |
2.95 |
-9.06 |
2.88 |
0 |
|
|
439611 |
135229397 |
1 |
SO3N9C38H41 |
AB3C9D38E41 |
35.42 |
3.58 |
-8.4 |
-0.74 |
0 |
|
|
439612 |
135229398 |
1 |
OH24C34 |
AB24C34 |
106.39 |
0.44 |
-8.42 |
-0.49 |
1 |
|
|
439613 |
135229399 |
1 |
NC10H14 |
AB10C14 |
35.9 |
1.6 |
0.0 |
0.0 |
0 |
|
|
439614 |
135229400 |
1 |
O2N9C33H35 |
A2B9C33D35 |
67.36 |
7.31 |
-8.63 |
-0.9 |
0 |
|
|
439615 |
135229401 |
1 |
NOH41C60 |
ABC41D60 |
207.77 |
1.74 |
-8.14 |
-0.62 |
0 |
|
|
439616 |
135229402 |
1 |
NOH41C63 |
ABC41D63 |
231.35 |
0.63 |
-8.08 |
-0.69 |
0 |
|
|
439617 |
135229403 |
2 |
NOH40C63 |
ABC40D63 |
476.71 |
2.17 |
-8.17 |
-0.76 |
0 |
|
|
439618 |
135229404 |
1 |
NOH37C57 |
ABC37D57 |
207.27 |
0.71 |
-8.15 |
-0.68 |
0 |
|
|
439619 |
135229405 |
1 |
NOH37C57 |
ABC37D57 |
207.31 |
0.75 |
-8.18 |
-0.69 |
0 |
|
|
439620 |
135229406 |
1 |
OSN5C19H23 |
ABC5D19E23 |
37.86 |
1.2 |
-8.53 |
-0.79 |
0 |
|
|
439621 |
135229407 |
1 |
NO2H27C45 |
AB2C27D45 |
132.31 |
2.5 |
-7.86 |
-0.76 |
0 |
|
|
439622 |
135229408 |
1 |
NOH33C48 |
ABC33D48 |
145.62 |
0.82 |
-8.01 |
-0.71 |
0 |
|
|
439623 |
135229409 |
1 |
NOSH35C57 |
ABCD35E57 |
210.79 |
2.34 |
-7.79 |
-0.77 |
0 |
|
|
439624 |
135229410 |
1 |
NOH39C64 |
ABC39D64 |
246.57 |
2.17 |
-7.99 |
-0.7 |
0 |
|
|
439625 |
135229411 |
1 |
ON2H32C51 |
AB2C32D51 |
197.19 |
1.17 |
-7.3 |
-0.69 |
0 |
|
|
439626 |
135229412 |
1 |
NO2H43C66 |
AB2C43D66 |
195.52 |
2.84 |
-8.21 |
-0.64 |
0 |
|
|
439627 |
135229413 |
1 |
NO2H47C67 |
AB2C47D67 |
203.71 |
2.91 |
-8.04 |
-0.67 |
0 |
|
|
439628 |
135229414 |
1 |
NO2H43C66 |
AB2C43D66 |
194.4 |
2.46 |
-8.04 |
-0.65 |
0 |
|
|
439629 |
135229415 |
1 |
NO2H27C45 |
AB2C27D45 |
131.25 |
2.79 |
-7.9 |
-0.77 |
0 |
|
|
439630 |
135229416 |
1 |
NOSH35C57 |
ABCD35E57 |
210.48 |
2.88 |
-7.74 |
-0.77 |
0 |
|
|
439631 |
135229417 |
1 |
NOH33C48 |
ABC33D48 |
144.02 |
1.22 |
-7.81 |
-0.74 |
0 |
|
|
439632 |
135229418 |
1 |
F2C11H20 |
A2B11C20 |
-141.31 |
2.52 |
-10.85 |
3.06 |
0 |
|
|
439633 |
135229419 |
1 |
NO2H43C70 |
AB2C43D70 |
245.24 |
1.32 |
-8.19 |
-0.67 |
0 |
|
|
439634 |
135229420 |
1 |
O2H48C73 |
A2B48C73 |
224.09 |
1.13 |
-8.45 |
-0.7 |
0 |
|
|
439635 |
135229421 |
1 |
NOSH43C69 |
ABCD43E69 |
257.08 |
0.61 |
-8.22 |
-0.73 |
0 |
|
|
439636 |
135229422 |
1 |
NOH49C76 |
ABC49D76 |
290.83 |
1.65 |
-8.09 |
-0.7 |
0 |
|
|
439637 |
135229423 |
1 |
NO2H43C70 |
AB2C43D70 |
251.49 |
1.54 |
-8.26 |
-0.7 |
0 |
|
|
439638 |
135229424 |
1 |
NOH49C76 |
ABC49D76 |
288.45 |
1.15 |
-8.13 |
-0.7 |
0 |
|
|
439639 |
135229425 |
1 |
NO2H27C45 |
AB2C27D45 |
131.44 |
2.49 |
-7.89 |
-0.75 |
0 |
|
|
439640 |
135229426 |
1 |
NOH33C48 |
ABC33D48 |
144.77 |
1.23 |
-7.82 |
-0.71 |
0 |
|
|
439641 |
135229427 |
1 |
NOSH35C57 |
ABCD35E57 |
211.84 |
1.07 |
-8.08 |
-0.64 |
0 |
|
|
439642 |
135229428 |
1 |
NOH29C45 |
ABC29D45 |
159.16 |
0.69 |
-7.89 |
-0.66 |
0 |
|
|
439643 |
135229430 |
1 |
NOH37C57 |
ABC37D57 |
207.65 |
2.09 |
-8.07 |
-0.62 |
0 |
|
|
439644 |
135229431 |
1 |
NO2H41C70 |
AB2C41D70 |
344.9 |
2.09 |
-7.44 |
-1.49 |
0 |