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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
291500 |
112884756 |
1 |
ON4C15H20 |
AB4C15D20 |
8.43 |
2.63 |
-8.73 |
0.17 |
0 |
|
|
291501 |
112884759 |
2 |
N2C9H12 |
A2B9C12 |
29.47 |
3.07 |
-8.57 |
0.23 |
0 |
|
|
291502 |
112886479 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-27.52 |
2.62 |
-8.29 |
-0.03 |
0 |
|
|
291503 |
112899579 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-73.87 |
2.65 |
-8.39 |
-0.77 |
0 |
|
|
291504 |
112900846 |
1 |
N4C19H26 |
A4B19C26 |
39.66 |
2.23 |
-8.41 |
0.11 |
0 |
|
|
291505 |
112919736 |
1 |
ClN5C19H20 |
AB5C19D20 |
69.98 |
0.79 |
-8.91 |
-0.39 |
0 |
|
|
291506 |
112946495 |
2 |
ON3C8H10 |
AB3C8D10 |
10.06 |
4.04 |
-8.92 |
-0.43 |
0 |
|
|
291507 |
112960255 |
1 |
N5C22H31 |
A5B22C31 |
50.26 |
4.94 |
-8.53 |
0.13 |
0 |
|
|
291508 |
112972446 |
1 |
ClN2O2C19H23 |
AB2C2D19E23 |
-70.85 |
5.5 |
-8.9 |
-0.17 |
0 |
|
|
291509 |
112987471 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-67.59 |
5.04 |
-8.02 |
-0.43 |
0 |
|
|
291510 |
112989912 |
1 |
SN3O3H19C21 |
AB3C3D19E21 |
-20.09 |
6.76 |
-8.68 |
-0.71 |
0 |
|
|
291511 |
113000016 |
1 |
ClFN2O4H16C18 |
ABC2D4E16F18 |
-183.65 |
2.98 |
-9.21 |
-0.92 |
0 |
|
|
291512 |
113020487 |
1 |
O3N4H20C21 |
A3B4C20D21 |
-47.13 |
6.59 |
-8.17 |
-0.6 |
0 |
|
|
291513 |
113038069 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-17.14 |
1.37 |
-8.42 |
-0.72 |
0 |
|
|
291514 |
113040843 |
1 |
O2S2N4H14C15 |
A2B2C4D14E15 |
38.08 |
6.31 |
-8.58 |
-1.18 |
0 |
|
|
291515 |
113107324 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-40.7 |
4.54 |
-8.06 |
0.23 |
0 |
|
|
291516 |
113113308 |
1 |
FCl2O2N3C18H18 |
AB2C2D3E18F18 |
-88.99 |
6.86 |
-8.71 |
-0.43 |
0 |
|
|
291517 |
113137184 |
1 |
SN2F3O3C14H19 |
AB2C3D3E14F19 |
-260.95 |
7.84 |
-9.29 |
-0.64 |
0 |
|
|
291518 |
113142636 |
1 |
ClSN2O3C18H21 |
ABC2D3E18F21 |
-108.2 |
5.42 |
-8.9 |
-0.16 |
0 |
|
|
291519 |
113143869 |
1 |
ClSN2O3C18H25 |
ABC2D3E18F25 |
-129.91 |
3.48 |
-8.89 |
-0.17 |
0 |
|
|
291520 |
113221267 |
1 |
N2O3C13H28 |
A2B3C13D28 |
-146.0 |
3.65 |
-8.79 |
1.6 |
0 |
|
|
291521 |
113228691 |
1 |
ON3C21H23 |
AB3C21D23 |
20.97 |
5.19 |
-8.53 |
-0.64 |
0 |
|
|
291522 |
113239487 |
1 |
ON4C13H18 |
AB4C13D18 |
10.45 |
5.29 |
-9.63 |
0.25 |
0 |
|
|
291523 |
113247040 |
1 |
NOC16H27 |
ABC16D27 |
-56.73 |
2.02 |
-8.75 |
0.56 |
0 |
|
|
291524 |
113284767 |
1 |
FN2C15H21 |
AB2C15D21 |
24.42 |
1.01 |
-8.93 |
0.0 |
0 |
|
|
291525 |
113284768 |
1 |
FN2C15H21 |
AB2C15D21 |
22.34 |
0.85 |
-8.95 |
0.03 |
0 |
|
|
291526 |
113284769 |
2 |
NC8H15 |
AB8C15 |
23.44 |
2.18 |
-8.53 |
2.38 |
0 |
|
|
291527 |
113297891 |
1 |
BrN2O2S2C12H13 |
AB2C2D2E12F13 |
-7.66 |
5.05 |
-8.37 |
-1.25 |
0 |
|
|
291528 |
113316994 |
1 |
ClON3C12H18 |
ABC3D12E18 |
-3.36 |
5.33 |
-8.26 |
-0.15 |
0 |
|
|
291529 |
113382602 |
1 |
O2N3C13H13 |
A2B3C13D13 |
2.86 |
7.74 |
-8.9 |
-0.6 |
0 |
|
|
291530 |
113382605 |
1 |
ON4C13H14 |
AB4C13D14 |
34.09 |
2.92 |
-8.59 |
-0.1 |
0 |
|
|
291531 |
113384774 |
1 |
OSN2C13H18 |
ABC2D13E18 |
-4.23 |
5.92 |
-9.03 |
-0.53 |
0 |
|
|
291532 |
113384782 |
1 |
SN2C15H18 |
AB2C15D18 |
50.91 |
2.83 |
-8.5 |
-0.22 |
0 |
|
|
291533 |
113384785 |
1 |
OSN2C13H20 |
ABC2D13E20 |
-35.47 |
5.46 |
-8.65 |
-0.17 |
0 |
|
|
291534 |
113384786 |
1 |
SN3C13H15 |
AB3C13D15 |
68.53 |
2.45 |
-8.67 |
-0.76 |
0 |
|
|
291535 |
113384801 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-79.38 |
4.03 |
-8.76 |
-0.33 |
0 |
|
|
291536 |
113384805 |
1 |
NS2C15H19 |
AB2C15D19 |
41.2 |
2.06 |
-8.54 |
-0.19 |
0 |
|
|
291537 |
113384811 |
1 |
BrNS2C14H16 |
ABC2D14E16 |
44.1 |
1.98 |
-8.97 |
-0.74 |
0 |
|
|
291538 |
113384814 |
1 |
NSO2C13H21 |
ABC2D13E21 |
-75.49 |
3.12 |
-8.46 |
-0.06 |
0 |
|
|
291539 |
113384819 |
1 |
NOSC15H23 |
ABCD15E23 |
-37.85 |
3.63 |
-8.69 |
-0.23 |
0 |
|
|
291540 |
113384820 |
1 |
SN4C13H18 |
AB4C13D18 |
67.77 |
5.07 |
-8.89 |
-0.57 |
0 |
|
|
291541 |
113415006 |
1 |
SO2N3C11H19 |
AB2C3D11E19 |
-63.82 |
5.88 |
-9.52 |
-0.11 |
0 |
|
|
291542 |
113434929 |
1 |
BrNO3H12C14 |
ABC3D12E14 |
-74.57 |
5.68 |
-9.52 |
-0.94 |
0 |
|
|
291543 |
113434938 |
1 |
INO4C12H14 |
ABC4D12E14 |
-130.17 |
3.47 |
-9.51 |
-1.17 |
0 |
|
|
291544 |
113435717 |
1 |
SO2N3C11H21 |
AB2C3D11E21 |
-46.28 |
1.27 |
-8.85 |
-0.22 |
0 |
|
|
291545 |
113436202 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-66.21 |
6.42 |
-8.84 |
-0.46 |
0 |
|
|
291546 |
113436592 |
1 |
N2O4C11H20 |
A2B4C11D20 |
-185.48 |
5.0 |
-9.5 |
0.7 |
0 |
|
|
291547 |
113436653 |
1 |
BrFON2C12H14 |
ABCD2E12F14 |
-71.55 |
1.66 |
-9.28 |
-1.02 |
0 |
|
|
291548 |
113436823 |
1 |
NO2C14H23 |
AB2C14D23 |
-84.37 |
3.13 |
-8.41 |
0.44 |
0 |
|
|
291549 |
113437902 |
1 |
NOC15H23 |
ABC15D23 |
-25.11 |
2.58 |
-8.69 |
0.2 |
0 |
|
|
291550 |
113438345 |
1 |
FO2H15C16 |
AB2C15D16 |
-78.77 |
5.27 |
-8.87 |
-0.78 |
0 |
|
|
291551 |
113438570 |
1 |
ClON2C14H15 |
ABC2D14E15 |
2.66 |
4.92 |
-9.12 |
-0.61 |
0 |
|
|
291552 |
113439192 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-101.74 |
5.96 |
-10.28 |
-1.24 |
0 |
|
|
291553 |
113441970 |
1 |
BrN3C14H22 |
AB3C14D22 |
15.24 |
1.94 |
-8.79 |
-0.43 |
0 |
|
|
291554 |
113442198 |
1 |
SO2N3C12H13 |
AB2C3D12E13 |
-17.88 |
5.19 |
-9.15 |
-0.32 |
0 |
|
|
291555 |
113442339 |
1 |
N4C13H24 |
A4B13C24 |
18.82 |
2.18 |
-8.72 |
0.83 |
0 |
|
|
291556 |
113442819 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-7.93 |
6.43 |
-8.64 |
-0.62 |
0 |
|
|
291557 |
113442984 |
1 |
BrNO3C14H22 |
ABC3D14E22 |
-162.83 |
1.89 |
-8.85 |
-0.38 |
0 |
|
|
291558 |
113443014 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-113.23 |
6.28 |
-8.99 |
-0.31 |
0 |
|
|
291559 |
113443079 |
1 |
FNOH14C15 |
ABCD14E15 |
-41.54 |
4.27 |
-8.65 |
-0.14 |
0 |
|
|
291560 |
113443107 |
1 |
NC17H25 |
AB17C25 |
0.94 |
1.97 |
-8.67 |
0.09 |
0 |
|
|
291561 |
113443191 |
1 |
SO2N3H11C12 |
AB2C3D11E12 |
38.09 |
3.98 |
-9.96 |
-1.84 |
0 |
|
|
291562 |
113443340 |
1 |
NCl2O2C13H17 |
AB2C2D13E17 |
-83.26 |
4.75 |
-9.32 |
-0.57 |
0 |
|
|
291563 |
113443361 |
1 |
BrO3H13C15 |
AB3C13D15 |
-53.1 |
3.68 |
-8.7 |
-0.65 |
0 |
|
|
291564 |
113443775 |
1 |
BrO2N4C12H13 |
AB2C4D12E13 |
13.31 |
5.91 |
-9.06 |
-0.72 |
0 |
|
|
291565 |
113444258 |
1 |
ON3C13H19 |
AB3C13D19 |
-5.23 |
5.46 |
-8.52 |
-0.49 |
0 |
|
|
291566 |
113444351 |
1 |
N3O4H11C12 |
A3B4C11D12 |
-7.57 |
3.64 |
-9.97 |
-2.03 |
0 |
|
|
291567 |
113444699 |
1 |
ON3C13H17 |
AB3C13D17 |
3.0 |
3.35 |
-8.69 |
-0.56 |
0 |
|
|
291568 |
113444793 |
1 |
F3N3C11H12 |
A3B3C11D12 |
-116.76 |
4.59 |
-8.91 |
-0.72 |
0 |
|
|
291569 |
113444796 |
2 |
ON2C6H6 |
AB2C6D6 |
-33.26 |
4.62 |
-8.95 |
-0.87 |
0 |
|
|
291570 |
113444869 |
1 |
OF2N2H8C13 |
AB2C2D8E13 |
-41.39 |
4.46 |
-9.03 |
-0.81 |
0 |
|
|
291571 |
113444941 |
1 |
O3N4C11H12 |
A3B4C11D12 |
0.17 |
6.49 |
-9.46 |
-1.61 |
0 |
|
|
291572 |
113445035 |
1 |
ClN3C14H16 |
AB3C14D16 |
47.77 |
8.19 |
-9.43 |
-1.07 |
0 |
|
|
291573 |
113445080 |
1 |
ClN3C15H16 |
AB3C15D16 |
74.08 |
9.27 |
-9.41 |
-1.02 |
0 |
|
|
291574 |
113445219 |
1 |
ON3C13H19 |
AB3C13D19 |
-15.76 |
4.92 |
-8.78 |
-0.02 |
0 |
|
|
291575 |
113445302 |
1 |
BrClON2C13H14 |
ABCD2E13F14 |
4.19 |
3.43 |
-8.48 |
-0.58 |
0 |
|
|
291576 |
113445477 |
1 |
BrCl2N2H11C13 |
AB2C2D11E13 |
29.68 |
1.26 |
-8.69 |
-0.78 |
0 |
|
|
291577 |
113445485 |
1 |
BrClON2C13H18 |
ABCD2E13F18 |
-39.01 |
1.01 |
-8.43 |
-0.28 |
0 |
|
|
291578 |
113446012 |
2 |
ClNC7H10 |
ABC7D10 |
-14.35 |
1.7 |
-8.32 |
-0.27 |
0 |
|
|
291579 |
113446036 |
1 |
BrClOSN2H6C11 |
ABCDE2F6G11 |
44.42 |
3.71 |
-8.91 |
-1.53 |
0 |
|
|
291580 |
113446039 |
1 |
BrN2O2C12H13 |
AB2C2D12E13 |
-39.99 |
3.16 |
-8.92 |
-0.76 |
0 |
|
|
291581 |
113446042 |
1 |
BrON4H11C12 |
ABC4D11E12 |
51.08 |
2.97 |
-8.92 |
-1.07 |
0 |
|
|
291582 |
113446045 |
1 |
BrON3H10C13 |
ABC3D10E13 |
47.08 |
4.16 |
-8.74 |
-1.2 |
0 |
|
|
291583 |
113446057 |
1 |
BrOSN2H9C12 |
ABCD2E9F12 |
34.79 |
5.76 |
-8.78 |
-1.19 |
0 |
|
|
291584 |
113446072 |
1 |
OSBr2N2H8C12 |
ABC2D2E8F12 |
45.84 |
3.45 |
-8.89 |
-1.48 |
0 |
|
|
291585 |
113446114 |
2 |
ON2C6H8 |
AB2C6D8 |
-29.08 |
3.71 |
-9.02 |
-0.92 |
0 |
|
|
291586 |
113446123 |
1 |
O2N4C13H18 |
A2B4C13D18 |
-37.85 |
3.17 |
-8.65 |
-0.57 |
0 |
|
|
291587 |
113446138 |
2 |
ON2C6H8 |
AB2C6D8 |
-22.24 |
4.0 |
-9.1 |
-1.06 |
0 |
|
|
291588 |
113446141 |
1 |
O2N4C13H16 |
A2B4C13D16 |
-18.5 |
4.91 |
-8.65 |
-0.67 |
0 |
|
|
291589 |
113446156 |
2 |
ON2C6H7 |
AB2C6D7 |
-21.55 |
6.1 |
-9.0 |
-0.87 |
0 |
|
|
291590 |
113446159 |
2 |
ON2C6H6 |
AB2C6D6 |
7.13 |
2.77 |
-8.89 |
-0.79 |
0 |
|
|
291591 |
113446222 |
1 |
BrFON3H9C13 |
ABCD3E9F13 |
20.17 |
2.37 |
-9.14 |
-1.06 |
0 |
|
|
291592 |
113446228 |
6 |
NC2H3 |
AB2C3 |
76.43 |
3.59 |
-8.67 |
-0.67 |
0 |
|
|
291593 |
113446252 |
2 |
N2C7H10 |
A2B7C10 |
44.01 |
3.87 |
-8.45 |
-0.39 |
0 |
|
|
291594 |
113446348 |
1 |
F3N4C10H11 |
A3B4C10D11 |
-103.81 |
2.54 |
-8.78 |
-0.72 |
0 |
|
|
291595 |
113446351 |
1 |
SN4C13H14 |
AB4C13D14 |
92.41 |
3.58 |
-8.42 |
-0.33 |
0 |
|
|
291596 |
113446354 |
1 |
ON4C12H16 |
AB4C12D16 |
22.25 |
2.72 |
-8.6 |
-0.52 |
0 |
|
|
291597 |
113446360 |
1 |
SN4C12H18 |
AB4C12D18 |
53.96 |
3.58 |
-8.38 |
-0.34 |
0 |
|
|
291598 |
113446363 |
2 |
N2C7H9 |
A2B7C9 |
88.02 |
1.86 |
-8.5 |
-0.46 |
0 |
|
|
291599 |
113446366 |
1 |
ClSN4H9C11 |
ABC4D9E11 |
103.88 |
2.45 |
-8.64 |
-0.92 |
0 |