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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157489 |
56430586 |
1 |
SN2O3C23H24 |
AB2C3D23E24 |
-73.98 |
3.84 |
-9.08 |
-1.22 |
0 |
|
|
157490 |
56431942 |
1 |
SN4O4H20C22 |
AB4C4D20E22 |
-63.12 |
1.7 |
-8.49 |
-1.31 |
0 |
|
|
157491 |
56431943 |
1 |
S2N4O4C21H24 |
A2B4C4D21E24 |
-77.02 |
5.63 |
-9.5 |
-1.05 |
0 |
|
|
157492 |
56431944 |
1 |
S2N4O5C21H22 |
A2B4C5D21E22 |
-107.41 |
5.87 |
-9.32 |
-1.0 |
0 |
|
|
157493 |
56431945 |
1 |
ClNO3C21H22 |
ABC3D21E22 |
-92.87 |
4.16 |
-8.9 |
-0.2 |
0 |
|
|
157494 |
56431946 |
1 |
Cl2N3O3H21C22 |
A2B3C3D21E22 |
-61.97 |
2.52 |
-8.86 |
-0.96 |
0 |
|
|
157495 |
56431947 |
1 |
FSN2O5H17C22 |
ABC2D5E17F22 |
-91.49 |
3.29 |
-8.94 |
-1.71 |
0 |
|
|
157496 |
56431951 |
1 |
N2O4H24C25 |
A2B4C24D25 |
-93.72 |
3.34 |
-8.64 |
-0.1 |
0 |
|
|
157497 |
56431954 |
1 |
SN3O5C22H23 |
AB3C5D22E23 |
-143.81 |
4.94 |
-9.08 |
-1.38 |
0 |
|
|
157498 |
56431957 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-130.91 |
3.86 |
-8.66 |
0.03 |
0 |
|
|
157499 |
56431958 |
1 |
SN2O6C24H24 |
AB2C6D24E24 |
-161.24 |
4.86 |
-8.67 |
-1.02 |
0 |
|
|
157500 |
56431960 |
1 |
SN2F3O5C22H23 |
AB2C3D5E22F23 |
-312.82 |
7.86 |
-8.98 |
-1.06 |
0 |
|
|
157501 |
56431961 |
1 |
N2S2O5C19H22 |
A2B2C5D19E22 |
-160.52 |
3.63 |
-8.8 |
-0.81 |
0 |
|
|
157502 |
56431964 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-118.24 |
2.65 |
-8.14 |
-0.26 |
0 |
|
|
157503 |
56432519 |
1 |
ClSN4O4C23H29 |
ABC4D4E23F29 |
-132.41 |
5.62 |
-8.8 |
-1.08 |
0 |
|
|
157504 |
56435302 |
1 |
BrO3N4H17C18 |
AB3C4D17E18 |
-6.61 |
5.33 |
-9.65 |
-0.97 |
0 |
|
|
157505 |
56435311 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-115.05 |
2.46 |
-8.33 |
-0.08 |
0 |
|
|
157506 |
56435314 |
1 |
FO3N4C24H29 |
AB3C4D24E29 |
-145.12 |
6.23 |
-8.8 |
-0.22 |
0 |
|
|
157507 |
56435328 |
1 |
S2N3O3H19C22 |
A2B3C3D19E22 |
10.0 |
7.71 |
-8.72 |
-1.5 |
0 |
|
|
157508 |
56435330 |
1 |
SN2O2C22H32 |
AB2C2D22E32 |
-80.16 |
5.72 |
-8.67 |
0.1 |
0 |
|
|
157509 |
56435335 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-148.6 |
2.03 |
-8.48 |
-0.08 |
0 |
|
|
157510 |
56435336 |
1 |
ClN2O4C23H27 |
AB2C4D23E27 |
-147.16 |
3.15 |
-9.09 |
-0.43 |
0 |
|
|
157511 |
56435342 |
1 |
O2S2N3C21H23 |
A2B2C3D21E23 |
4.97 |
6.89 |
-8.63 |
-1.56 |
0 |
|
|
157512 |
56435343 |
1 |
O2S2F3N3C17H20 |
A2B2C3D3E17F20 |
-178.3 |
5.96 |
-9.01 |
-1.53 |
0 |
|
|
157513 |
56435364 |
1 |
SN2O5C20H24 |
AB2C5D20E24 |
-160.48 |
10.87 |
-8.91 |
-0.92 |
0 |
|
|
157514 |
56435368 |
1 |
N4O5C22H30 |
A4B5C22D30 |
-204.58 |
4.86 |
-8.75 |
-0.07 |
0 |
|
|
157515 |
56435379 |
1 |
SO3N5C22H33 |
AB3C5D22E33 |
-90.8 |
1.38 |
-9.16 |
-1.09 |
0 |
|
|
157516 |
56435387 |
1 |
O3N6C23H36 |
A3B6C23D36 |
-105.69 |
8.19 |
-8.47 |
-0.38 |
0 |
|
|
157517 |
56435394 |
1 |
O3N5C22H35 |
A3B5C22D35 |
-147.98 |
7.15 |
-9.08 |
-0.08 |
0 |
|
|
157518 |
56435398 |
1 |
FO2N3C21H26 |
AB2C3D21E26 |
-85.08 |
4.15 |
-8.74 |
-1.24 |
0 |
|
|
157519 |
56435482 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-64.4 |
3.34 |
-8.28 |
0.06 |
0 |
|
|
157520 |
56435498 |
3 |
NOC8H11 |
ABC8D11 |
-123.71 |
4.58 |
-8.35 |
0.18 |
0 |
|
|
157521 |
56435500 |
1 |
ClON4C19H27 |
ABC4D19E27 |
-25.74 |
4.31 |
-8.63 |
-0.32 |
0 |
|
|
157522 |
56435508 |
1 |
ON5C21H27 |
AB5C21D27 |
34.23 |
8.07 |
-8.55 |
-0.99 |
0 |
|
|
157523 |
56435526 |
1 |
FO2N5C23H28 |
AB2C5D23E28 |
-52.66 |
10.94 |
-8.32 |
-1.12 |
0 |
|
|
157524 |
56435530 |
1 |
ON4C20H26 |
AB4C20D26 |
1.89 |
4.33 |
-8.69 |
-0.74 |
0 |
|
|
157525 |
56435534 |
1 |
SO3N4C22H34 |
AB3C4D22E34 |
-105.23 |
3.16 |
-8.72 |
-0.98 |
0 |
|
|
157526 |
56435537 |
1 |
SO3N4C23H36 |
AB3C4D23E36 |
-115.12 |
4.71 |
-8.91 |
-0.82 |
0 |
|
|
157527 |
56435540 |
1 |
O2N5C23H29 |
A2B5C23D29 |
-10.48 |
6.68 |
-9.1 |
-1.2 |
0 |
|
|
157528 |
56435543 |
1 |
ClIO2N3C13H13 |
ABC2D3E13F13 |
1.49 |
2.91 |
-9.74 |
-1.36 |
0 |
|
|
157529 |
56435545 |
1 |
SN4O7C18H24 |
AB4C7D18E24 |
-203.59 |
3.85 |
-9.73 |
-1.42 |
0 |
|
|
157530 |
56435555 |
2 |
SN2O2C10H11 |
AB2C2D10E11 |
-60.02 |
5.0 |
-8.91 |
-0.93 |
0 |
|
|
157531 |
56435562 |
1 |
ION3C18H24 |
ABC3D18E24 |
2.68 |
6.14 |
-8.64 |
-1.32 |
0 |
|
|
157532 |
56435565 |
3 |
NOC10H13 |
ABC10D13 |
-109.35 |
5.46 |
-8.8 |
-0.31 |
0 |
|
|
157533 |
56435568 |
1 |
N4O4C23H26 |
A4B4C23D26 |
-144.58 |
3.29 |
-9.33 |
-0.5 |
0 |
|
|
157534 |
56435571 |
1 |
OS3N5C19H23 |
AB3C5D19E23 |
52.47 |
9.29 |
-8.67 |
-1.69 |
0 |
|
|
157535 |
56435575 |
1 |
S2N3O3C20H25 |
A2B3C3D20E25 |
-78.89 |
2.81 |
-9.27 |
-1.62 |
0 |
|
|
157536 |
56435600 |
1 |
OCl2S2N3H9C14 |
AB2C2D3E9F14 |
33.86 |
5.42 |
-8.41 |
-1.85 |
0 |
|
|
157537 |
56435611 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-175.33 |
4.0 |
-9.55 |
-0.18 |
0 |
|
|
157538 |
56435613 |
1 |
O2N3C28H41 |
A2B3C28D41 |
-102.67 |
2.04 |
-8.8 |
-0.16 |
0 |
|
|
157539 |
56435615 |
1 |
F2N2O4C23H28 |
A2B2C4D23E28 |
-252.61 |
4.95 |
-9.13 |
-0.32 |
0 |
|
|
157540 |
56435618 |
1 |
FOS2N3C19H20 |
ABC2D3E19F20 |
0.58 |
3.35 |
-8.72 |
-1.5 |
0 |
|
|
157541 |
56435634 |
1 |
OSN4C19H30 |
ABC4D19E30 |
-31.37 |
6.6 |
-8.56 |
-0.75 |
0 |
|
|
157542 |
56435638 |
1 |
O3N6C26H36 |
A3B6C26D36 |
-92.92 |
6.54 |
-8.63 |
-1.56 |
0 |
|
|
157543 |
56435642 |
1 |
SO2N5C21H27 |
AB2C5D21E27 |
-43.03 |
4.3 |
-8.97 |
-1.6 |
0 |
|
|
157544 |
56435644 |
1 |
FO2N5C21H30 |
AB2C5D21E30 |
-114.6 |
4.49 |
-8.63 |
-0.42 |
0 |
|
|
157545 |
56435646 |
2 |
ON2C12H16 |
AB2C12D16 |
-41.08 |
7.55 |
-8.69 |
-0.79 |
0 |
|
|
157546 |
56435648 |
1 |
O3N4C25H36 |
A3B4C25D36 |
-106.04 |
5.74 |
-8.96 |
0.03 |
0 |
|
|
157547 |
56435651 |
1 |
S2O3N4C21H32 |
A2B3C4D21E32 |
-98.55 |
4.97 |
-8.83 |
-1.1 |
0 |
|
|
157548 |
56435656 |
1 |
OSN5C16H25 |
ABC5D16E25 |
8.91 |
2.9 |
-8.88 |
-1.62 |
0 |
|
|
157549 |
56435662 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-62.78 |
6.32 |
-8.46 |
-0.87 |
0 |
|
|
157550 |
56435665 |
1 |
N3O4C23H33 |
A3B4C23D33 |
-115.75 |
5.62 |
-8.56 |
-0.51 |
0 |
|
|
157551 |
56435669 |
1 |
O2F3N5C20H20 |
A2B3C5D20E20 |
-111.99 |
4.42 |
-9.87 |
-1.1 |
0 |
|
|
157552 |
56435670 |
2 |
SN2O2C9H10 |
AB2C2D9E10 |
-60.05 |
7.86 |
-8.58 |
-0.95 |
0 |
|
|
157553 |
56435672 |
1 |
SN5O5C17H21 |
AB5C5D17E21 |
-123.3 |
8.94 |
-9.78 |
-1.19 |
0 |
|
|
157554 |
56435674 |
1 |
Cl2O3N4C18H20 |
A2B3C4D18E20 |
-75.49 |
2.8 |
-9.73 |
-0.98 |
0 |
|
|
157555 |
56435678 |
1 |
O3N5H21C22 |
A3B5C21D22 |
20.39 |
2.72 |
-9.45 |
-1.45 |
0 |
|
|
157556 |
56435682 |
1 |
O2F3N5H18C19 |
A2B3C5D18E19 |
-136.72 |
4.56 |
-9.02 |
-0.94 |
0 |
|
|
157557 |
56435686 |
1 |
SN4O4C26H34 |
AB4C4D26E34 |
-115.23 |
10.92 |
-8.48 |
-1.05 |
0 |
|
|
157558 |
56435689 |
1 |
S2O3N4C22H28 |
A2B3C4D22E28 |
-58.9 |
5.42 |
-8.5 |
-1.4 |
0 |
|
|
157559 |
56435697 |
1 |
F3N3O3C20H22 |
A3B3C3D20E22 |
-249.23 |
4.95 |
-9.09 |
-0.62 |
0 |
|
|
157560 |
56435698 |
1 |
SO2N5C24H35 |
AB2C5D24E35 |
-60.66 |
5.36 |
-8.63 |
0.04 |
0 |
|
|
157561 |
56435700 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-95.65 |
2.2 |
-8.59 |
0.02 |
0 |
|
|
157562 |
56435701 |
1 |
O2N3C25H35 |
A2B3C25D35 |
-67.47 |
6.8 |
-9.1 |
-0.24 |
0 |
|
|
157563 |
56435709 |
1 |
ClN3O4C23H28 |
AB3C4D23E28 |
-154.23 |
6.96 |
-9.41 |
-0.72 |
0 |
|
|
157564 |
56435710 |
1 |
F2O2N3C21H25 |
A2B2C3D21E25 |
-151.79 |
6.13 |
-8.76 |
-0.4 |
0 |
|
|
157565 |
56435739 |
1 |
NSO2C19H29 |
ABC2D19E29 |
-105.91 |
2.21 |
-8.7 |
-0.02 |
0 |
|
|
157566 |
56435742 |
1 |
NSO3C20H29 |
ABC3D20E29 |
-133.88 |
3.81 |
-8.68 |
-0.01 |
0 |
|
|
157567 |
56435745 |
1 |
SN3O5C22H35 |
AB3C5D22E35 |
-219.4 |
5.25 |
-8.75 |
-0.26 |
0 |
|
|
157568 |
56435748 |
1 |
ClO3N4C25H31 |
AB3C4D25E31 |
-115.76 |
5.79 |
-9.05 |
-0.18 |
0 |
|
|
157569 |
56435749 |
1 |
O2S2N3C22H25 |
A2B2C3D22E25 |
0.38 |
3.46 |
-8.12 |
-1.19 |
0 |
|
|
157570 |
56435752 |
1 |
ClON6C21H27 |
ABC6D21E27 |
28.74 |
5.42 |
-8.57 |
-1.22 |
0 |
|
|
157571 |
56435786 |
1 |
ClOF3N5C23H31 |
ABC3D5E23F31 |
-183.12 |
5.13 |
-8.96 |
-0.77 |
0 |
|
|
157572 |
56435787 |
1 |
SN4O4C20H30 |
AB4C4D20E30 |
-100.74 |
4.53 |
-8.87 |
-1.16 |
0 |
|
|
157573 |
56435793 |
1 |
ON3C20H29 |
AB3C20D29 |
-36.19 |
6.22 |
-8.56 |
-0.26 |
0 |
|
|
157574 |
56435800 |
1 |
SO3N4C22H24 |
AB3C4D22E24 |
-32.4 |
3.6 |
-8.53 |
-0.47 |
0 |
|
|
157575 |
56435810 |
1 |
ClO3N5H18C20 |
AB3C5D18E20 |
25.63 |
5.84 |
-9.5 |
-1.11 |
0 |
|
|
157576 |
56435812 |
1 |
O2N5C26H29 |
A2B5C26D29 |
9.41 |
2.21 |
-9.2 |
-1.24 |
0 |
|
|
157577 |
56435814 |
1 |
SO3N4C24H30 |
AB3C4D24E30 |
-63.52 |
2.1 |
-8.89 |
-1.29 |
0 |
|
|
157578 |
56435816 |
1 |
SO2N4C21H28 |
AB2C4D21E28 |
-62.06 |
6.51 |
-8.66 |
-0.88 |
0 |
|
|
157579 |
56435831 |
1 |
O2N3C25H37 |
A2B3C25D37 |
-97.37 |
4.21 |
-8.3 |
-0.27 |
0 |
|
|
157580 |
56435835 |
1 |
FN3O3C26H34 |
AB3C3D26E34 |
-161.35 |
1.81 |
-8.48 |
-0.29 |
0 |
|
|
157581 |
56435846 |
2 |
ON2C13H16 |
AB2C13D16 |
-38.83 |
4.21 |
-8.95 |
-0.17 |
0 |
|
|
157582 |
56435860 |
1 |
N3O3C25H33 |
A3B3C25D33 |
-127.18 |
5.36 |
-9.25 |
-0.41 |
0 |
|
|
157583 |
56435871 |
3 |
NOC8H9 |
ABC8D9 |
-52.1 |
5.27 |
-9.09 |
-0.16 |
0 |
|
|
157584 |
56435875 |
1 |
N3O3C25H35 |
A3B3C25D35 |
-138.58 |
5.12 |
-9.26 |
-0.24 |
0 |
|
|
157585 |
56435883 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-26.45 |
8.43 |
-9.07 |
-1.07 |
0 |
|
|
157586 |
56435890 |
2 |
ON2C12H16 |
AB2C12D16 |
-34.87 |
2.43 |
-8.97 |
-0.55 |
0 |
|
|
157587 |
56435900 |
1 |
ON4C22H30 |
AB4C22D30 |
-16.73 |
6.72 |
-8.66 |
-0.22 |
0 |
|
|
157588 |
56435902 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-33.01 |
6.83 |
-8.52 |
-0.92 |
0 |