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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
449381 |
135298161 |
1 |
FCl2O2N5H26C27 |
AB2C2D5E26F27 |
-21.21 |
3.31 |
-8.35 |
-0.88 |
0 |
|
|
449382 |
135298172 |
1 |
FCl2O3N5C31H32 |
AB2C3D5E31F32 |
-68.82 |
2.26 |
-8.12 |
-0.88 |
0 |
|
|
449383 |
135298176 |
1 |
FON2C12H17 |
ABC2D12E17 |
-75.47 |
2.86 |
-8.5 |
0.15 |
0 |
|
|
449384 |
135298178 |
1 |
NOF2C12H15 |
ABC2D12E15 |
-122.35 |
2.68 |
-8.72 |
-0.14 |
0 |
|
|
449385 |
135298187 |
1 |
INOC8H10 |
ABCD8E10 |
0.63 |
4.75 |
-9.49 |
-3.18 |
0 |
|
|
449386 |
135298192 |
1 |
Cl2N4O4C31H32 |
A2B4C4D31E32 |
-92.39 |
5.55 |
-8.4 |
-0.8 |
0 |
|
|
449387 |
135298204 |
2 |
NC5H10 |
AB5C10 |
-9.73 |
3.02 |
-8.14 |
1.84 |
0 |
|
|
449388 |
135298229 |
1 |
SN3O5C28H35 |
AB3C5D28E35 |
-148.59 |
11.88 |
-9.04 |
-0.66 |
0 |
|
|
449389 |
135298230 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-79.71 |
8.9 |
-9.07 |
-0.56 |
0 |
|
|
449390 |
135298231 |
1 |
SN3O3C28H35 |
AB3C3D28E35 |
-73.14 |
4.43 |
-9.15 |
-0.62 |
0 |
|
|
449391 |
135298233 |
1 |
BrN2C19H21 |
AB2C19D21 |
40.13 |
6.44 |
-8.88 |
-0.35 |
0 |
|
|
449392 |
135298241 |
1 |
NO2C18H21 |
AB2C18D21 |
-63.79 |
5.96 |
-8.64 |
-0.28 |
0 |
|
|
449393 |
135298242 |
1 |
ClNOC16H20 |
ABCD16E20 |
-54.65 |
5.67 |
-8.55 |
-0.1 |
0 |
|
|
449394 |
135298250 |
1 |
SN3O4C28H37 |
AB3C4D28E37 |
-148.23 |
4.66 |
-8.59 |
-1.15 |
0 |
|
|
449395 |
135298257 |
1 |
BrSN2O3H19C22 |
ABC2D3E19F22 |
-41.7 |
4.56 |
-8.88 |
-0.71 |
0 |
|
|
449396 |
135298280 |
1 |
ON3H33C48 |
AB3C33D48 |
190.08 |
2.28 |
-8.77 |
-1.18 |
0 |
|
|
449397 |
135298284 |
3 |
N2H16C23 |
A2B16C23 |
348.79 |
0.97 |
-8.88 |
-1.19 |
0 |
|
|
449398 |
135298289 |
1 |
O2N3H35C54 |
A2B3C35D54 |
187.1 |
1.25 |
-8.83 |
-1.21 |
0 |
|
|
449399 |
135298291 |
1 |
S2N3H35C54 |
A2B3C35D54 |
246.88 |
0.81 |
-8.47 |
-1.13 |
0 |
|
|
449400 |
135298292 |
1 |
N5H37C54 |
A5B37C54 |
269.46 |
1.0 |
-8.21 |
-0.95 |
0 |
|
|
449401 |
135298301 |
2 |
N2H15C21 |
A2B15C21 |
202.69 |
2.79 |
-8.71 |
-1.19 |
0 |
|
|
449402 |
135298307 |
1 |
N3H37C55 |
A3B37C55 |
250.98 |
1.31 |
-8.69 |
-1.17 |
0 |
|
|
449403 |
135298310 |
1 |
N3H39C58 |
A3B39C58 |
283.5 |
0.62 |
-8.65 |
-1.16 |
0 |
|
|
449404 |
135298311 |
1 |
ClO2F3N9H29C30 |
AB2C3D9E29F30 |
-12.68 |
5.88 |
-9.74 |
-1.44 |
0 |
|
|
449405 |
135298312 |
1 |
N3H39C58 |
A3B39C58 |
284.42 |
0.27 |
-8.76 |
-1.15 |
0 |
|
|
449406 |
135298315 |
1 |
ON3H41C64 |
AB3C41D64 |
285.84 |
0.91 |
-8.86 |
-1.15 |
0 |
|
|
449407 |
135298322 |
1 |
N3H39C58 |
A3B39C58 |
282.1 |
0.32 |
-8.8 |
-1.16 |
0 |
|
|
449408 |
135298332 |
1 |
N3H31C46 |
A3B31C46 |
236.61 |
0.18 |
-8.85 |
-1.07 |
0 |
|
|
449409 |
135298340 |
1 |
ClN4H21C33 |
AB4C21D33 |
183.45 |
2.67 |
-8.4 |
-1.48 |
0 |
|
|
449410 |
135298353 |
1 |
NH9C18 |
AB9C18 |
219.81 |
2.13 |
-8.51 |
-0.97 |
0 |
|
|
449411 |
135298374 |
1 |
NSH19C34 |
ABC19D34 |
173.99 |
1.32 |
-8.31 |
-0.99 |
0 |
|
|
449412 |
135298390 |
1 |
NH33C53 |
AB33C53 |
250.92 |
0.51 |
-8.23 |
-0.92 |
0 |
|
|
449413 |
135298393 |
1 |
NOH21C38 |
ABC21D38 |
162.78 |
1.87 |
-8.29 |
-1.13 |
0 |
|
|
449414 |
135298400 |
1 |
BrNH14C24 |
ABC14D24 |
133.91 |
1.04 |
-8.38 |
-1.01 |
0 |
|
|
449415 |
135298408 |
1 |
O5N6C47H62 |
A5B6C47D62 |
-192.65 |
6.6 |
-8.71 |
-0.73 |
0 |
|
|
449416 |
135298412 |
2 |
O3N4C25H33 |
A3B4C25D33 |
-166.46 |
8.2 |
-8.46 |
-0.54 |
0 |
|
|
449417 |
135298432 |
1 |
FNO3C14H26 |
ABC3D14E26 |
-211.95 |
1.56 |
-9.48 |
0.32 |
0 |
|
|
449418 |
135298435 |
1 |
NO2C14H27 |
AB2C14D27 |
-126.92 |
2.84 |
-9.3 |
0.3 |
0 |
|
|
449419 |
135298441 |
1 |
NO3C13H23 |
AB3C13D23 |
-134.0 |
2.36 |
-9.49 |
0.46 |
0 |
|
|
449420 |
135298451 |
1 |
SO2F4N6H18C29 |
AB2C4D6E18F29 |
0.23 |
6.93 |
-9.37 |
-1.56 |
0 |
|
|
449421 |
135298453 |
1 |
NP2C25H31 |
AB2C25D31 |
0.17 |
3.31 |
-8.49 |
-0.01 |
0 |
|
|
449422 |
135298456 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-72.06 |
2.25 |
-8.98 |
-0.66 |
0 |
|
|
449423 |
135298460 |
1 |
N3C31H35 |
A3B31C35 |
87.59 |
4.45 |
-8.2 |
-0.34 |
0 |
|
|
449424 |
135298463 |
1 |
N3C28H37 |
A3B28C37 |
50.32 |
3.83 |
-7.56 |
-0.12 |
0 |
|
|
449425 |
135298493 |
1 |
PN8O8C25H31 |
AB8C8D25E31 |
-271.8 |
2.12 |
-9.01 |
-0.8 |
0 |
|
|
449426 |
135298495 |
1 |
N3O5C10H13 |
A3B5C10D13 |
-143.94 |
2.39 |
-10.15 |
-0.63 |
0 |
|
|
449427 |
135298505 |
1 |
N3O8C15H19 |
A3B8C15D19 |
-282.17 |
1.81 |
-10.02 |
-0.71 |
0 |
|
|
449428 |
135298521 |
1 |
S2O14C65H92 |
A2B14C65D92 |
-611.71 |
0.84 |
-8.1 |
-1.14 |
0 |
|
|
449429 |
135298529 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-99.37 |
4.97 |
-9.11 |
-0.77 |
0 |
|
|
449430 |
135298538 |
1 |
SO3N5C34H41 |
AB3C5D34E41 |
-3.41 |
7.59 |
-9.02 |
-0.94 |
0 |
|
|
449431 |
135298572 |
5 |
NH7C10 |
AB7C10 |
249.87 |
3.94 |
-8.96 |
-1.19 |
0 |
|
|
449432 |
135298586 |
1 |
FSN3O3H14C18 |
ABC3D3E14F18 |
-55.75 |
4.61 |
-9.34 |
-0.97 |
0 |
|
|
449433 |
135298589 |
1 |
FSO3N5H14C16 |
ABC3D5E14F16 |
-31.33 |
6.24 |
-9.34 |
-1.09 |
0 |
|
|
449434 |
135298591 |
1 |
SO3N4H14C16 |
AB3C4D14E16 |
6.97 |
5.23 |
-9.24 |
-1.0 |
0 |
|
|
449435 |
135298593 |
1 |
SO3N4H16C18 |
AB3C4D16E18 |
-6.69 |
4.16 |
-9.26 |
-1.12 |
0 |
|
|
449436 |
135298597 |
1 |
FSN2O4H13C17 |
ABC2D4E13F17 |
-99.73 |
7.37 |
-9.25 |
-1.0 |
0 |
|
|
449437 |
135298601 |
1 |
FSO3N4H17C18 |
ABC3D4E17F18 |
-57.5 |
5.08 |
-9.07 |
-0.88 |
0 |
|
|
449438 |
135298604 |
1 |
FN2S2O3H13C17 |
AB2C2D3E13F17 |
-61.45 |
7.08 |
-9.2 |
-0.9 |
0 |
|
|
449439 |
135298609 |
1 |
FSN2O4C17H17 |
ABC2D4E17F17 |
-117.02 |
6.35 |
-9.14 |
-1.05 |
0 |
|
|
449440 |
135298613 |
5 |
NH7C10 |
AB7C10 |
255.94 |
2.46 |
-8.6 |
-1.06 |
0 |
|
|
449441 |
135298614 |
5 |
NH7C10 |
AB7C10 |
252.66 |
2.9 |
-8.95 |
-1.22 |
0 |
|
|
449442 |
135298630 |
1 |
FSN2O4C17H19 |
ABC2D4E17F19 |
-146.82 |
3.87 |
-9.13 |
-0.97 |
0 |
|
|
449443 |
135298644 |
1 |
NO2H19C20 |
AB2C19D20 |
-28.96 |
0.32 |
-9.32 |
-0.9 |
0 |
|
|
449444 |
135298646 |
1 |
NO2C23H25 |
AB2C23D25 |
-46.01 |
3.97 |
-9.11 |
-0.71 |
0 |
|
|
449445 |
135298653 |
1 |
NO2H19C23 |
AB2C19D23 |
4.77 |
4.37 |
-9.04 |
-0.95 |
0 |
|
|
449446 |
135298668 |
1 |
FO2N7C25H26 |
AB2C7D25E26 |
15.14 |
5.41 |
-9.01 |
-0.5 |
0 |
|
|
449447 |
135298675 |
1 |
ON8C30H38 |
AB8C30D38 |
86.05 |
5.21 |
-8.8 |
-0.14 |
0 |
|
|
449448 |
135298684 |
1 |
NOH13C14 |
ABC13D14 |
42.96 |
1.57 |
-8.79 |
-0.7 |
0 |
|
|
449449 |
135298687 |
1 |
OF3N3C11H12 |
AB3C3D11E12 |
-148.22 |
4.67 |
-8.68 |
-0.15 |
0 |
|
|
449450 |
135298707 |
1 |
FON7H32C36 |
ABC7D32E36 |
136.88 |
7.56 |
-8.24 |
-1.77 |
0 |
|
|
449451 |
135298715 |
1 |
FN6H25C29 |
AB6C25D29 |
134.28 |
4.25 |
-8.48 |
-1.96 |
0 |
|
|
449452 |
135298722 |
1 |
FON6H23C33 |
ABC6D23E33 |
127.16 |
10.11 |
-8.35 |
-1.81 |
0 |
|
|
449453 |
135298725 |
1 |
FON6H27C32 |
ABC6D27E32 |
82.34 |
10.18 |
-8.35 |
-1.8 |
0 |
|
|
449454 |
135298748 |
1 |
FON6H27C30 |
ABC6D27E30 |
102.34 |
3.96 |
-8.43 |
-1.91 |
0 |
|
|
449455 |
135298750 |
1 |
FON5H18C26 |
ABC5D18E26 |
98.2 |
4.71 |
-8.51 |
-1.99 |
0 |
|
|
449456 |
135298753 |
1 |
FN6H17C25 |
AB6C17D25 |
155.62 |
6.19 |
-8.44 |
-1.89 |
0 |
|
|
449457 |
135298763 |
1 |
F2N3O4H11C12 |
A2B3C4D11E12 |
-158.37 |
1.59 |
-9.87 |
-1.04 |
0 |
|
|
449458 |
135298771 |
1 |
PO5C9H17 |
AB5C9D17 |
-259.83 |
5.47 |
-9.96 |
0.79 |
0 |
|
|
449459 |
135298803 |
1 |
S2O9N10C46H60 |
A2B9C10D46E60 |
-291.03 |
8.81 |
-8.19 |
-2.3 |
0 |
|
|
449460 |
135298810 |
1 |
O2N4C7H14 |
A2B4C7D14 |
-78.94 |
2.15 |
-9.23 |
0.11 |
0 |
|
|
449461 |
135298812 |
1 |
NOC16H23 |
ABC16D23 |
-52.54 |
4.46 |
-9.27 |
0.42 |
0 |
|
|
449462 |
135298821 |
1 |
ON2C14H26 |
AB2C14D26 |
-67.72 |
4.41 |
-8.48 |
1.35 |
0 |
|
|
449463 |
135298827 |
2 |
NOC7H13 |
ABC7D13 |
-97.18 |
3.75 |
-8.3 |
0.74 |
0 |
|
|
449464 |
135298830 |
1 |
N2O5C29H32 |
A2B5C29D32 |
-136.09 |
2.96 |
-8.99 |
-0.68 |
0 |
|
|
449465 |
135298839 |
1 |
FN2C7H9 |
AB2C7D9 |
-28.99 |
1.31 |
-8.89 |
-0.13 |
0 |
|
|
449466 |
135298843 |
1 |
NOC8H9 |
ABC8D9 |
17.29 |
2.06 |
-9.97 |
-0.19 |
0 |
|
|
449467 |
135298865 |
2 |
NO3H8C9 |
AB3C8D9 |
-115.59 |
3.95 |
-9.7 |
-2.39 |
0 |
|
|
449468 |
135298867 |
1 |
NO2C23H33 |
AB2C23D33 |
-96.85 |
5.46 |
-8.83 |
0.31 |
0 |
|
|
449469 |
135298869 |
1 |
NO3C23H35 |
AB3C23D35 |
-154.34 |
4.95 |
-9.0 |
0.26 |
0 |
|
|
449470 |
135298881 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-68.63 |
4.45 |
-8.59 |
0.24 |
0 |
|
|
449471 |
135298890 |
1 |
O2H7C8F11 |
A2B7C8D11 |
-674.55 |
3.74 |
-12.03 |
-0.74 |
0 |
|
|
449472 |
135298894 |
1 |
NO3C13H25 |
AB3C13D25 |
-163.03 |
2.97 |
-8.84 |
0.63 |
0 |
|
|
449473 |
135298902 |
1 |
O10C21H42 |
A10B21C42 |
-398.03 |
2.11 |
-9.38 |
0.7 |
0 |
|
|
449474 |
135298903 |
1 |
NO3C12H23 |
AB3C12D23 |
-132.54 |
2.95 |
-9.72 |
-0.04 |
0 |
|
|
449475 |
135298920 |
2 |
O2C7H9 |
A2B7C9 |
-132.03 |
2.79 |
-9.78 |
-0.83 |
0 |
|
|
449476 |
135298926 |
2 |
O6C13H26 |
A6B13C26 |
-530.45 |
3.16 |
-9.79 |
0.78 |
0 |
|
|
449477 |
135298932 |
1 |
N3O5C48H55 |
A3B5C48D55 |
-125.16 |
5.21 |
-8.35 |
-0.41 |
0 |
|
|
449478 |
135298938 |
1 |
S3H28C34 |
A3B28C34 |
121.43 |
0.76 |
-8.58 |
-0.94 |
0 |
|
|
449479 |
135298946 |
1 |
ClSO2F3N6H16C17 |
ABC2D3E6F16G17 |
-143.52 |
10.61 |
-8.26 |
-1.65 |
0 |
|
|
449480 |
135298959 |
1 |
SN4O6C30H36 |
AB4C6D30E36 |
-218.85 |
2.72 |
-8.7 |
-0.59 |
0 |