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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
284500 |
104051587 |
1 |
BrSO2C17H17 |
ABC2D17E17 |
-35.66 |
4.63 |
-8.72 |
-0.69 |
0 |
|
|
284501 |
104051590 |
1 |
BrFO2H14C16 |
ABC2D14E16 |
-82.07 |
4.24 |
-9.22 |
-0.72 |
0 |
|
|
284502 |
104051591 |
1 |
BrO2C16H21 |
AB2C16D21 |
-85.28 |
5.1 |
-9.03 |
-0.35 |
0 |
|
|
284503 |
104051593 |
1 |
BrO2C17H17 |
AB2C17D17 |
-46.49 |
2.99 |
-8.84 |
-0.63 |
0 |
|
|
284504 |
104051594 |
1 |
BrO2C14H19 |
AB2C14D19 |
-84.78 |
2.48 |
-8.91 |
-0.26 |
0 |
|
|
284505 |
104051595 |
1 |
BrO2C17H17 |
AB2C17D17 |
-43.54 |
2.0 |
-9.3 |
-0.63 |
0 |
|
|
284506 |
104051596 |
1 |
BrO2C18H19 |
AB2C18D19 |
-53.33 |
1.59 |
-8.95 |
-0.33 |
0 |
|
|
284507 |
104051597 |
1 |
BrO2C17H23 |
AB2C17D23 |
-90.7 |
5.27 |
-9.06 |
-0.39 |
0 |
|
|
284508 |
104051598 |
1 |
BrSO2C15H15 |
ABC2D15E15 |
-44.6 |
4.45 |
-8.84 |
-0.94 |
0 |
|
|
284509 |
104051599 |
1 |
BrSO2C15H15 |
ABC2D15E15 |
-44.07 |
3.58 |
-8.78 |
-0.92 |
0 |
|
|
284510 |
104051602 |
1 |
FBr2O2H13C16 |
AB2C2D13E16 |
-75.92 |
4.92 |
-9.26 |
-1.04 |
0 |
|
|
284511 |
104051604 |
1 |
BrO2C15H21 |
AB2C15D21 |
-88.5 |
5.04 |
-9.03 |
-0.34 |
0 |
|
|
284512 |
104051606 |
1 |
BrO2C17H23 |
AB2C17D23 |
-75.28 |
4.97 |
-8.97 |
-0.23 |
0 |
|
|
284513 |
104051607 |
1 |
BrO2C16H21 |
AB2C16D21 |
-81.98 |
4.78 |
-9.0 |
-0.26 |
0 |
|
|
284514 |
104051609 |
1 |
BrClO2H16C17 |
ABC2D16E17 |
-54.71 |
3.57 |
-8.91 |
-0.77 |
0 |
|
|
284515 |
104051610 |
1 |
BrO2C17H25 |
AB2C17D25 |
-99.62 |
2.37 |
-8.9 |
-0.3 |
0 |
|
|
284516 |
104051612 |
1 |
BrClO2H14C16 |
ABC2D14E16 |
-42.69 |
5.16 |
-9.26 |
-0.73 |
0 |
|
|
284517 |
104051613 |
1 |
BrCl2O2H13C16 |
AB2C2D13E16 |
-49.09 |
4.93 |
-9.24 |
-1.02 |
0 |
|
|
284518 |
104051614 |
1 |
BrO2C17H17 |
AB2C17D17 |
-47.25 |
4.3 |
-8.84 |
-0.61 |
0 |
|
|
284519 |
104051615 |
1 |
BrO2C15H19 |
AB2C15D19 |
-78.2 |
5.04 |
-9.07 |
-0.38 |
0 |
|
|
284520 |
104051616 |
1 |
BrO2C17H17 |
AB2C17D17 |
-46.44 |
3.72 |
-8.85 |
-0.7 |
0 |
|
|
284521 |
104051617 |
1 |
FBr2O2H13C16 |
AB2C2D13E16 |
-76.86 |
4.96 |
-9.13 |
-0.78 |
0 |
|
|
284522 |
104051618 |
1 |
BrO2F3C12H12 |
AB2C3D12E12 |
-231.41 |
4.48 |
-9.22 |
-0.68 |
0 |
|
|
284523 |
104051619 |
1 |
BrO2C18H27 |
AB2C18D27 |
-108.14 |
2.16 |
-9.3 |
-0.51 |
0 |
|
|
284524 |
104051621 |
1 |
BrO2C18H27 |
AB2C18D27 |
-106.28 |
2.61 |
-8.94 |
-0.29 |
0 |
|
|
284525 |
104051622 |
1 |
BrO3C15H19 |
AB3C15D19 |
-113.98 |
3.72 |
-9.28 |
-0.37 |
0 |
|
|
284526 |
104051624 |
1 |
BrO2F3H10C11 |
AB2C3D10E11 |
-214.94 |
4.85 |
-9.31 |
-1.01 |
0 |
|
|
284527 |
104051625 |
1 |
BrO2C17H21 |
AB2C17D21 |
-57.97 |
5.41 |
-9.08 |
-0.43 |
0 |
|
|
284528 |
104051626 |
1 |
BrClO2H16C17 |
ABC2D16E17 |
-54.32 |
3.38 |
-9.04 |
-0.85 |
0 |
|
|
284529 |
104051627 |
1 |
BrFO2H14C16 |
ABC2D14E16 |
-80.59 |
5.21 |
-9.13 |
-0.7 |
0 |
|
|
284530 |
104051628 |
1 |
BrO2C16H21 |
AB2C16D21 |
-84.67 |
5.27 |
-9.06 |
-0.4 |
0 |
|
|
284531 |
104051630 |
1 |
BrO2C15H21 |
AB2C15D21 |
-88.46 |
1.96 |
-8.98 |
-0.32 |
0 |
|
|
284532 |
104051632 |
1 |
BrClFO2H13C16 |
ABCD2E13F16 |
-88.4 |
5.8 |
-9.13 |
-0.85 |
0 |
|
|
284533 |
104051633 |
1 |
BrF2O2H13C16 |
AB2C2D13E16 |
-126.57 |
5.95 |
-9.05 |
-0.8 |
0 |
|
|
284534 |
104051634 |
1 |
BrO2C18H19 |
AB2C18D19 |
-55.64 |
3.48 |
-8.82 |
-0.62 |
0 |
|
|
284535 |
104051635 |
1 |
BrO2C15H21 |
AB2C15D21 |
-88.84 |
5.54 |
-8.95 |
-0.54 |
0 |
|
|
284536 |
104051637 |
1 |
ClBr2O2H13C16 |
AB2C2D13E16 |
-39.0 |
4.8 |
-9.22 |
-0.93 |
0 |
|
|
284537 |
104051638 |
1 |
BrSO2H13C14 |
ABC2D13E14 |
-26.88 |
4.91 |
-9.11 |
-0.68 |
0 |
|
|
284538 |
104051639 |
1 |
BrFO2H16C17 |
ABC2D16E17 |
-90.6 |
4.05 |
-9.18 |
-0.68 |
0 |
|
|
284539 |
104051640 |
1 |
Br2O2H16C17 |
A2B2C16D17 |
-42.68 |
3.39 |
-9.03 |
-0.86 |
0 |
|
|
284540 |
104051642 |
1 |
BrClSO2H12C14 |
ABCD2E12F14 |
-40.21 |
4.06 |
-9.04 |
-1.0 |
0 |
|
|
284541 |
104051643 |
1 |
BrO4C16H21 |
AB4C16D21 |
-176.55 |
5.03 |
-9.54 |
-0.76 |
0 |
|
|
284542 |
104051644 |
1 |
BrO4C14H17 |
AB4C14D17 |
-163.7 |
6.44 |
-9.62 |
-0.85 |
0 |
|
|
284543 |
104051647 |
1 |
BrO3C14H19 |
AB3C14D19 |
-133.83 |
2.55 |
-9.08 |
-0.23 |
0 |
|
|
284544 |
104051649 |
1 |
Br2O4C13H14 |
A2B4C13D14 |
-151.5 |
2.69 |
-9.45 |
-0.96 |
0 |
|
|
284545 |
104051651 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-67.98 |
1.58 |
-9.22 |
-0.67 |
0 |
|
|
284546 |
104051653 |
1 |
BrNO2C15H20 |
ABC2D15E20 |
-68.08 |
4.69 |
-9.26 |
-0.39 |
0 |
|
|
284547 |
104051655 |
1 |
BrINOSC14H15 |
ABCDEF14G15 |
19.9 |
1.67 |
-9.12 |
-1.06 |
0 |
|
|
284548 |
104051656 |
1 |
NOBr2C17H19 |
ABC2D17E19 |
-11.27 |
4.39 |
-9.17 |
-0.4 |
0 |
|
|
284549 |
104051657 |
1 |
BrNOC16H22 |
ABCD16E22 |
-20.25 |
2.48 |
-9.11 |
-0.15 |
0 |
|
|
284550 |
104051658 |
1 |
NOBr2C17H19 |
ABC2D17E19 |
-18.14 |
4.06 |
-7.92 |
-0.37 |
0 |
|
|
284551 |
104051660 |
1 |
BrClNOSC14H15 |
ABCDEF14G15 |
-5.49 |
1.44 |
-9.07 |
-0.57 |
0 |
|
|
284552 |
104051664 |
1 |
BrNOF2C16H16 |
ABCD2E16F16 |
-99.36 |
2.37 |
-9.27 |
-0.49 |
0 |
|
|
284553 |
104051665 |
1 |
BrNOC15H22 |
ABCD15E22 |
-45.05 |
1.92 |
-9.09 |
-0.1 |
0 |
|
|
284554 |
104051666 |
1 |
BrNOCl2C16H16 |
ABCD2E16F16 |
-22.73 |
2.43 |
-9.28 |
-0.54 |
0 |
|
|
284555 |
104051667 |
1 |
FNOBr2C16H16 |
ABCD2E16F16 |
-47.52 |
1.67 |
-9.22 |
-0.52 |
0 |
|
|
284556 |
104052024 |
1 |
BrNO3C16H24 |
ABC3D16E24 |
-135.71 |
4.45 |
-9.01 |
-0.11 |
0 |
|
|
284557 |
104052298 |
3 |
OC5H6 |
AB5C6 |
-91.03 |
3.41 |
-8.74 |
0.22 |
0 |
|
|
284558 |
104052303 |
1 |
F2O2C17H18 |
A2B2C17D18 |
-158.75 |
3.86 |
-8.82 |
-0.24 |
0 |
|
|
284559 |
104052867 |
1 |
BrNOC17H20 |
ABCD17E20 |
-2.51 |
1.7 |
-8.72 |
-0.1 |
0 |
|
|
284560 |
104052912 |
1 |
NOSC15H25 |
ABCD15E25 |
-47.79 |
3.7 |
-8.17 |
0.29 |
0 |
|
|
284561 |
104053095 |
1 |
ON2C18H32 |
AB2C18D32 |
-56.77 |
2.05 |
-8.29 |
0.54 |
0 |
|
|
284562 |
104053118 |
1 |
NO2C16H27 |
AB2C16D27 |
-96.77 |
3.76 |
-8.32 |
0.58 |
0 |
|
|
284563 |
104053119 |
1 |
NO2C17H29 |
AB2C17D29 |
-102.68 |
2.41 |
-8.31 |
0.6 |
0 |
|
|
284564 |
104053127 |
1 |
NO3C15H25 |
AB3C15D25 |
-130.56 |
2.43 |
-8.25 |
0.64 |
0 |
|
|
284565 |
104053130 |
1 |
NOF2C17H19 |
ABC2D17E19 |
-96.03 |
1.24 |
-8.7 |
-0.23 |
0 |
|
|
284566 |
104053131 |
1 |
NOF2C16H17 |
ABC2D16E17 |
-97.08 |
4.24 |
-8.65 |
-0.49 |
0 |
|
|
284567 |
104053137 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-80.27 |
2.41 |
-8.29 |
0.62 |
0 |
|
|
284568 |
104053146 |
1 |
NOF3C15H22 |
ABC3D15E22 |
-215.47 |
5.16 |
-8.62 |
0.27 |
0 |
|
|
284569 |
104053149 |
1 |
NOS2C16H25 |
ABC2D16E25 |
-39.73 |
2.8 |
-8.29 |
0.52 |
0 |
|
|
284570 |
104053151 |
1 |
NOS2C15H23 |
ABC2D15E23 |
-33.57 |
1.95 |
-8.48 |
0.19 |
0 |
|
|
284571 |
104053155 |
1 |
NSO2C17H27 |
ABC2D17E27 |
-90.13 |
2.84 |
-8.48 |
0.4 |
0 |
|
|
284572 |
104053163 |
1 |
BrON2C16H19 |
ABC2D16E19 |
6.2 |
3.0 |
-8.94 |
-0.41 |
0 |
|
|
284573 |
104053275 |
1 |
NO3C15H15 |
AB3C15D15 |
-79.65 |
3.85 |
-9.04 |
-0.95 |
0 |
|
|
284574 |
104053327 |
1 |
FO2C17H17 |
AB2C17D17 |
-95.77 |
2.9 |
-8.71 |
-0.48 |
0 |
|
|
284575 |
104053350 |
1 |
FNOC18H22 |
ABCD18E22 |
-65.43 |
2.95 |
-8.46 |
0.09 |
0 |
|
|
284576 |
104053850 |
1 |
OSN3C9H15 |
ABC3D9E15 |
-22.61 |
2.76 |
-8.81 |
-0.4 |
0 |
|
|
284577 |
104053883 |
1 |
BrFOCl2H14C16 |
ABCD2E14F16 |
-73.15 |
1.31 |
-9.32 |
-0.7 |
0 |
|
|
284578 |
104053911 |
1 |
OSN2C12H14 |
ABC2D12E14 |
-5.88 |
3.38 |
-8.94 |
-0.37 |
0 |
|
|
284579 |
104053912 |
1 |
BrOCl2C17H17 |
ABC2D17E17 |
-37.8 |
3.44 |
-9.31 |
-0.56 |
0 |
|
|
284580 |
104053944 |
1 |
OSN4C10H14 |
ABC4D10E14 |
13.7 |
2.21 |
-8.83 |
-0.23 |
0 |
|
|
284581 |
104053956 |
1 |
BrClOC17H24 |
ABCD17E24 |
-67.78 |
0.62 |
-9.17 |
-0.32 |
0 |
|
|
284582 |
104053957 |
1 |
ON2C15H18 |
AB2C15D18 |
-7.78 |
3.29 |
-8.55 |
0.26 |
0 |
|
|
284583 |
104053966 |
1 |
BrClFOC17H17 |
ABCDE17F17 |
-72.02 |
2.08 |
-9.23 |
-0.44 |
0 |
|
|
284584 |
104053971 |
1 |
SN2C13H24 |
AB2C13D24 |
-19.34 |
2.18 |
-8.82 |
-0.28 |
0 |
|
|
284585 |
104054006 |
1 |
BrClOC17H18 |
ABCD17E18 |
-26.7 |
2.14 |
-9.29 |
-0.51 |
0 |
|
|
284586 |
104054019 |
1 |
BrClFOC17H17 |
ABCDE17F17 |
-67.25 |
5.19 |
-9.09 |
-0.42 |
0 |
|
|
284587 |
104054027 |
1 |
OSN2F3C8H11 |
ABC2D3E8F11 |
-178.9 |
3.43 |
-8.86 |
-0.3 |
0 |
|
|
284588 |
104054029 |
1 |
BrClOSC15H16 |
ABCDE15F16 |
-19.91 |
0.88 |
-8.79 |
-0.46 |
0 |
|
|
284589 |
104054040 |
1 |
ClSN4C10H13 |
ABC4D10E13 |
49.68 |
4.05 |
-9.01 |
-0.56 |
0 |
|
|
284590 |
104054043 |
1 |
BrOCl3H14C16 |
ABC3D14E16 |
-36.28 |
2.66 |
-9.33 |
-0.72 |
0 |
|
|
284591 |
104054052 |
1 |
OBr2Cl2H14C16 |
AB2C2D14E16 |
-24.09 |
1.37 |
-9.32 |
-0.74 |
0 |
|
|
284592 |
104054514 |
1 |
NOC18H21 |
ABC18D21 |
-17.52 |
3.02 |
-8.15 |
0.36 |
0 |
|
|
284593 |
104054543 |
1 |
NOC17H27 |
ABC17D27 |
-57.45 |
0.95 |
-8.32 |
0.52 |
0 |
|
|
284594 |
104054573 |
1 |
NOC17H29 |
ABC17D29 |
-66.42 |
1.83 |
-8.35 |
0.5 |
0 |
|
|
284595 |
104054700 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
-30.52 |
3.27 |
-8.84 |
-0.95 |
0 |
|
|
284596 |
104054704 |
1 |
ClNOC14H14 |
ABCD14E14 |
-5.09 |
4.61 |
-8.72 |
-0.51 |
0 |
|
|
284597 |
104054707 |
1 |
ClON2C13H13 |
ABC2D13E13 |
9.04 |
5.54 |
-8.91 |
-0.8 |
0 |
|
|
284598 |
104054749 |
1 |
ON3C17H21 |
AB3C17D21 |
21.29 |
3.66 |
-8.6 |
-0.11 |
0 |
|
|
284599 |
104054812 |
1 |
NO2C17H27 |
AB2C17D27 |
-77.65 |
1.77 |
-8.35 |
0.51 |
0 |