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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
446501 |
135275499 |
2 |
O3H17C20 |
A3B17C20 |
-139.72 |
2.8 |
-8.19 |
-1.16 |
0 |
|
|
446502 |
135275518 |
1 |
NO7H35C45 |
AB7C35D45 |
-135.48 |
5.13 |
-8.28 |
-1.62 |
0 |
|
|
446503 |
135275529 |
2 |
NH27C36 |
AB27C36 |
287.49 |
1.26 |
-7.82 |
-0.53 |
0 |
|
|
446504 |
135275530 |
1 |
ISF2N2O2H11C18 |
ABC2D2E2F11G18 |
-30.17 |
2.63 |
-8.86 |
-2.76 |
0 |
|
|
446505 |
135275534 |
1 |
SO6H28C38 |
AB6C28D38 |
-125.71 |
3.43 |
-8.47 |
-1.54 |
0 |
|
|
446506 |
135275538 |
1 |
OSN2H52C84 |
ABC2D52E84 |
342.04 |
1.77 |
-7.92 |
-0.73 |
0 |
|
|
446507 |
135275539 |
1 |
O3N4C31H38 |
A3B4C31D38 |
-88.06 |
7.67 |
-8.27 |
-0.13 |
0 |
|
|
446508 |
135275543 |
1 |
ClO4F6N7H34C39 |
AB4C6D7E34F39 |
-275.12 |
3.67 |
-8.68 |
-1.27 |
0 |
|
|
446509 |
135275544 |
1 |
ClSF4O5N8H33C39 |
ABC4D5E8F33G39 |
-130.86 |
6.04 |
-8.61 |
-1.62 |
0 |
|
|
446510 |
135275556 |
1 |
N2O5H20C21 |
A2B5C20D21 |
-79.74 |
3.77 |
-9.93 |
-1.61 |
0 |
|
|
446511 |
135275558 |
1 |
NSO4C15H19 |
ABC4D15E19 |
-141.05 |
4.22 |
-9.1 |
-0.46 |
0 |
|
|
446512 |
135275566 |
1 |
OSN6C23H28 |
ABC6D23E28 |
45.58 |
2.63 |
-8.29 |
-0.79 |
0 |
|
|
446513 |
135275571 |
1 |
N5C11H17 |
A5B11C17 |
84.1 |
7.78 |
-9.8 |
0.45 |
0 |
|
|
446514 |
135275582 |
1 |
O3N4C36H44 |
A3B4C36D44 |
-78.8 |
5.28 |
-8.74 |
-0.47 |
0 |
|
|
446515 |
135275591 |
1 |
O3N4C32H38 |
A3B4C32D38 |
-78.64 |
4.27 |
-8.53 |
-0.17 |
0 |
|
|
446516 |
135275599 |
1 |
N4O4C29H44 |
A4B4C29D44 |
-156.82 |
5.09 |
-8.3 |
0.26 |
0 |
|
|
446517 |
135275616 |
1 |
FN2O4H25C26 |
AB2C4D25E26 |
-156.27 |
2.7 |
-9.23 |
-0.41 |
0 |
|
|
446518 |
135275620 |
1 |
NO3C12H15 |
AB3C12D15 |
-101.76 |
1.53 |
-9.28 |
-0.83 |
0 |
|
|
446519 |
135275629 |
1 |
O3N4C31H38 |
A3B4C31D38 |
-71.47 |
5.82 |
-8.28 |
-0.08 |
0 |
|
|
446520 |
135275639 |
1 |
O3N4C31H38 |
A3B4C31D38 |
-82.18 |
7.06 |
-8.5 |
-0.13 |
0 |
|
|
446521 |
135275640 |
1 |
O3N5C31H39 |
A3B5C31D39 |
-43.5 |
5.88 |
-8.26 |
0.04 |
0 |
|
|
446522 |
135275644 |
1 |
SO6H40C44 |
AB6C40D44 |
-158.42 |
8.56 |
-8.12 |
-1.32 |
0 |
|
|
446523 |
135275650 |
1 |
O3N4C30H34 |
A3B4C30D34 |
-60.39 |
8.07 |
-8.42 |
-0.21 |
0 |
|
|
446524 |
135275658 |
1 |
O4N5C26H37 |
A4B5C26D37 |
-153.56 |
4.0 |
-8.38 |
-0.13 |
0 |
|
|
446525 |
135275664 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-158.5 |
1.06 |
-9.61 |
-1.09 |
0 |
|
|
446526 |
135275671 |
1 |
O2N5C21H25 |
A2B5C21D25 |
-2.46 |
4.38 |
-8.94 |
-0.37 |
0 |
|
|
446527 |
135275672 |
1 |
O3N4C30H36 |
A3B4C30D36 |
-65.11 |
7.27 |
-8.25 |
-0.17 |
0 |
|
|
446528 |
135275679 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-15.47 |
3.49 |
-9.09 |
-0.94 |
0 |
|
|
446529 |
135275688 |
1 |
O3N4C30H36 |
A3B4C30D36 |
-71.36 |
7.28 |
-8.46 |
-0.09 |
0 |
|
|
446530 |
135275690 |
1 |
BrNC6H10 |
ABC6D10 |
11.13 |
3.5 |
-9.57 |
-0.15 |
0 |
|
|
446531 |
135275691 |
4 |
NOC7H10 |
ABC7D10 |
-160.88 |
3.78 |
-7.99 |
0.33 |
0 |
|
|
446532 |
135275697 |
1 |
SO4N7C31H33 |
AB4C7D31E33 |
-32.6 |
10.11 |
-8.53 |
-1.06 |
0 |
|
|
446533 |
135275706 |
1 |
NS2O4C15H21 |
AB2C4D15E21 |
-129.13 |
6.73 |
-8.89 |
-0.8 |
0 |
|
|
446534 |
135275718 |
1 |
NS2O3C13H17 |
AB2C3D13E17 |
-82.79 |
7.02 |
-8.81 |
-0.71 |
0 |
|
|
446535 |
135275736 |
1 |
ClNOC8H16 |
ABCD8E16 |
-36.32 |
2.14 |
-9.41 |
0.19 |
0 |
|
|
446536 |
135275754 |
1 |
NO3C13H17 |
AB3C13D17 |
-84.17 |
8.12 |
-8.99 |
-0.19 |
0 |
|
|
446537 |
135275772 |
1 |
NO3C7H9 |
AB3C7D9 |
-112.66 |
0.75 |
-8.92 |
-0.24 |
0 |
|
|
446538 |
135275783 |
1 |
NOC14H21 |
ABC14D21 |
-67.18 |
3.79 |
-8.82 |
0.17 |
0 |
|
|
446539 |
135275794 |
1 |
O3N4C33H44 |
A3B4C33D44 |
-81.33 |
2.6 |
-8.4 |
0.16 |
0 |
|
|
446540 |
135275798 |
1 |
BrNO3C7H8 |
ABC3D7E8 |
-87.48 |
1.82 |
-8.78 |
-0.52 |
0 |
|
|
446541 |
135275803 |
1 |
N4O4C25H34 |
A4B4C25D34 |
-150.81 |
2.73 |
-8.53 |
-0.02 |
0 |
|
|
446542 |
135275804 |
1 |
O3N4C32H36 |
A3B4C32D36 |
-51.41 |
6.8 |
-8.97 |
-0.38 |
0 |
|
|
446543 |
135275818 |
1 |
ClINSC5H5 |
ABCDE5F5 |
34.68 |
3.05 |
-8.48 |
-1.02 |
0 |
|
|
446544 |
135275836 |
1 |
NO2S3C14H19 |
AB2C3D14E19 |
-37.97 |
6.61 |
-8.2 |
-1.12 |
0 |
|
|
446545 |
135275839 |
1 |
ClINSH3C4 |
ABCDE3F4 |
44.53 |
3.33 |
-9.43 |
-1.75 |
0 |
|
|
446546 |
135275858 |
1 |
ClINSC6H7 |
ABCDE6F7 |
42.48 |
1.71 |
-8.34 |
-0.92 |
0 |
|
|
446547 |
135275859 |
1 |
NS2O4C15H21 |
AB2C4D15E21 |
-100.96 |
6.01 |
-8.41 |
-1.18 |
0 |
|
|
446548 |
135275864 |
1 |
ISN2C5H7 |
ABC2D5E7 |
43.7 |
2.64 |
-9.44 |
-1.4 |
0 |
|
|
446549 |
135275865 |
1 |
NO2S3C13H17 |
AB2C3D13E17 |
-30.79 |
5.84 |
-8.32 |
-1.21 |
0 |
|
|
446550 |
135275922 |
1 |
NO2C11H17 |
AB2C11D17 |
-87.93 |
1.63 |
-9.34 |
0.16 |
0 |
|
|
446551 |
135275924 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-94.21 |
3.56 |
-10.05 |
-0.04 |
0 |
|
|
446552 |
135275925 |
1 |
FN3H18C21 |
AB3C18D21 |
56.19 |
3.24 |
-8.15 |
-0.61 |
0 |
|
|
446553 |
135275950 |
1 |
NS2O5C18H27 |
AB2C5D18E27 |
-153.3 |
5.14 |
-8.3 |
-1.18 |
0 |
|
|
446554 |
135275966 |
1 |
ClNOSC4H8 |
ABCDE4F8 |
-34.49 |
5.07 |
-9.07 |
-0.64 |
0 |
|
|
446555 |
135275970 |
1 |
OF3N3C11H12 |
AB3C3D11E12 |
-153.54 |
4.76 |
-9.66 |
-1.1 |
0 |
|
|
446556 |
135275972 |
1 |
OF2N3C17H21 |
AB2C3D17E21 |
-116.73 |
3.46 |
-8.69 |
-0.66 |
0 |
|
|
446557 |
135275973 |
1 |
SN4O6C41H50 |
AB4C6D41E50 |
-181.85 |
6.41 |
-8.57 |
-1.28 |
0 |
|
|
446558 |
135275980 |
1 |
ON3F5H16C18 |
AB3C5D16E18 |
-223.49 |
2.6 |
-8.69 |
-0.88 |
0 |
|
|
446559 |
135276006 |
1 |
ClFNO2H17C20 |
ABCD2E17F20 |
-79.11 |
3.7 |
-8.98 |
-0.52 |
0 |
|
|
446560 |
135276010 |
1 |
O3N7C22H25 |
A3B7C22D25 |
-1.91 |
3.28 |
-8.2 |
-0.86 |
0 |
|
|
446561 |
135276013 |
1 |
OF3N3C17H22 |
AB3C3D17E22 |
-188.5 |
6.68 |
-8.71 |
-0.09 |
0 |
|
|
446562 |
135276021 |
1 |
O4N6C21H30 |
A4B6C21D30 |
-104.46 |
6.04 |
-8.28 |
-0.87 |
0 |
|
|
446563 |
135276028 |
2 |
N3C9H13 |
A3B9C13 |
63.19 |
2.53 |
-8.35 |
-0.71 |
0 |
|
|
446564 |
135276032 |
1 |
O2N6C17H24 |
A2B6C17D24 |
-1.07 |
5.41 |
-8.58 |
-0.83 |
0 |
|
|
446565 |
135276036 |
1 |
ON6C22H24 |
AB6C22D24 |
54.53 |
6.78 |
-8.46 |
-0.79 |
0 |
|
|
446566 |
135276051 |
1 |
ClON4H9C11 |
ABC4D9E11 |
54.75 |
8.77 |
-9.17 |
-1.26 |
0 |
|
|
446567 |
135276061 |
1 |
OSN6C20H28 |
ABC6D20E28 |
11.42 |
4.37 |
-8.51 |
-0.91 |
0 |
|
|
446568 |
135276064 |
1 |
ClFOH14C16 |
ABCD14E16 |
-43.86 |
3.05 |
-8.93 |
-0.12 |
0 |
|
|
446569 |
135276085 |
1 |
ClO2N4C14H17 |
AB2C4D14E17 |
-9.44 |
4.33 |
-8.26 |
-1.03 |
0 |
|
|
446570 |
135276087 |
2 |
NC10H14 |
AB10C14 |
29.23 |
1.96 |
-8.22 |
0.51 |
0 |
|
|
446571 |
135276089 |
1 |
F3O3N6C20H25 |
A3B3C6D20E25 |
-225.34 |
2.59 |
-9.09 |
-1.42 |
0 |
|
|
446572 |
135276128 |
3 |
ON2C7H10 |
AB2C7D10 |
-62.94 |
6.61 |
-8.24 |
-0.84 |
0 |
|
|
446573 |
135276132 |
1 |
O4N6C21H30 |
A4B6C21D30 |
-105.29 |
6.75 |
-8.64 |
-0.86 |
0 |
|
|
446574 |
135276135 |
1 |
OSN7C23H33 |
ABC7D23E33 |
8.66 |
4.27 |
-8.4 |
-0.75 |
0 |
|
|
446575 |
135276141 |
1 |
NSO5C15H21 |
ABC5D15E21 |
-156.5 |
5.32 |
-9.24 |
-0.52 |
0 |
|
|
446576 |
135276148 |
1 |
NO2S3C12H15 |
AB2C3D12E15 |
-11.91 |
6.13 |
-8.4 |
-1.17 |
0 |
|
|
446577 |
135276149 |
1 |
NS2O3C12H15 |
AB2C3D12E15 |
-59.84 |
7.05 |
-8.32 |
-1.09 |
0 |
|
|
446578 |
135276156 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-121.31 |
6.05 |
-9.16 |
-0.34 |
0 |
|
|
446579 |
135276163 |
2 |
ON3C12H14 |
AB3C12D14 |
-2.0 |
3.55 |
-8.63 |
-0.89 |
0 |
|
|
446580 |
135276185 |
2 |
ON3C10H14 |
AB3C10D14 |
-33.98 |
4.41 |
-8.66 |
-0.89 |
0 |
|
|
446581 |
135276192 |
1 |
O3N6C23H34 |
A3B6C23D34 |
-76.83 |
7.01 |
-8.7 |
-0.93 |
0 |
|
|
446582 |
135276193 |
1 |
ON6C16H22 |
AB6C16D22 |
34.78 |
4.65 |
-8.48 |
-0.86 |
0 |
|
|
446583 |
135276214 |
1 |
O5N7C24H39 |
A5B7C24D39 |
-162.32 |
4.66 |
-8.22 |
-0.84 |
0 |
|
|
446584 |
135276216 |
1 |
SN6C16H22 |
AB6C16D22 |
71.25 |
3.88 |
-8.43 |
-0.81 |
0 |
|
|
446585 |
135276220 |
1 |
O3N7C27H41 |
A3B7C27D41 |
-83.62 |
5.21 |
-8.65 |
-0.87 |
0 |
|
|
446586 |
135276228 |
1 |
O2N5C15H19 |
A2B5C15D19 |
4.41 |
6.4 |
-9.0 |
-1.02 |
0 |
|
|
446587 |
135276232 |
1 |
O2N6C21H32 |
A2B6C21D32 |
-38.78 |
7.55 |
-7.96 |
-0.62 |
0 |
|
|
446588 |
135276236 |
1 |
O3N7C22H31 |
A3B7C22D31 |
-66.23 |
6.19 |
-8.36 |
-0.72 |
0 |
|
|
446589 |
135276238 |
1 |
ClSO2N6C21H23 |
ABC2D6E21F23 |
14.31 |
7.06 |
-8.76 |
-1.09 |
0 |
|
|
446590 |
135276250 |
1 |
O2F3N6C19H23 |
A2B3C6D19E23 |
-179.85 |
7.27 |
-9.01 |
-1.45 |
0 |
|
|
446591 |
135276262 |
2 |
O2N3C13H16 |
A2B3C13D16 |
-77.3 |
8.21 |
-8.17 |
-0.83 |
0 |
|
|
446592 |
135276264 |
1 |
O3N5C23H35 |
A3B5C23D35 |
-87.5 |
0.85 |
-7.69 |
-0.29 |
0 |
|
|
446593 |
135276268 |
1 |
INOC8H8 |
ABCD8E8 |
-12.74 |
6.05 |
-9.14 |
-1.0 |
0 |
|
|
446594 |
135276269 |
1 |
SN4F7C13H13 |
AB4C7D13E13 |
-307.64 |
4.69 |
-9.19 |
-0.91 |
0 |
|
|
446595 |
135276276 |
2 |
N3C8H11 |
A3B8C11 |
62.54 |
5.8 |
-8.34 |
-0.68 |
0 |
|
|
446596 |
135276281 |
1 |
O3N6C21H28 |
A3B6C21D28 |
-45.01 |
5.38 |
-8.15 |
-0.8 |
0 |
|
|
446597 |
135276282 |
1 |
O3N6C20H28 |
A3B6C20D28 |
-55.48 |
7.74 |
-8.42 |
-0.94 |
0 |
|
|
446598 |
135276283 |
1 |
O2N6C21H30 |
A2B6C21D30 |
-32.36 |
4.34 |
-8.21 |
-0.8 |
0 |
|
|
446599 |
135276286 |
1 |
O4N6C21H28 |
A4B6C21D28 |
-101.6 |
3.9 |
-8.32 |
-0.87 |
0 |
|
|
446600 |
135276292 |
1 |
ON4C12H16 |
AB4C12D16 |
24.0 |
2.93 |
-8.51 |
-0.87 |
0 |