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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
426560 |
135148024 |
2 |
ClN2O3H17C21 |
AB2C3D17E21 |
-71.19 |
2.66 |
-9.33 |
-1.56 |
0 |
|
|
426561 |
135148152 |
1 |
O4N7H41C42 |
A4B7C41D42 |
-3.6 |
3.34 |
-8.36 |
-1.32 |
0 |
|
|
426562 |
135148247 |
1 |
ClO3N6H29C33 |
AB3C6D29E33 |
52.95 |
7.12 |
-8.87 |
-1.32 |
0 |
|
|
426563 |
135148471 |
1 |
O5N7H43C44 |
A5B7C43D44 |
-45.96 |
9.18 |
-8.42 |
-1.46 |
0 |
|
|
426564 |
135148595 |
2 |
ClN2O2H15C17 |
AB2C2D15E17 |
-57.56 |
6.83 |
-8.98 |
-1.15 |
0 |
|
|
426565 |
135148618 |
1 |
ClSF3N3O3H21C24 |
ABC3D3E3F21G24 |
-200.97 |
4.28 |
-8.65 |
-1.32 |
0 |
|
|
426566 |
135148627 |
1 |
BrClO3N4C22H22 |
ABC3D4E22F22 |
-71.42 |
4.44 |
-9.37 |
-1.61 |
0 |
|
|
426567 |
135148849 |
1 |
O2N7H39C40 |
A2B7C39D40 |
98.44 |
1.12 |
-8.21 |
-1.14 |
0 |
|
|
426568 |
135148884 |
1 |
ClSF3N3O3H27C28 |
ABC3D3E3F27G28 |
-196.75 |
6.95 |
-8.49 |
-1.81 |
0 |
|
|
426569 |
135148885 |
1 |
Cl2O2N4H30C31 |
A2B2C4D30E31 |
-5.48 |
3.48 |
-9.05 |
-1.25 |
0 |
|
|
426570 |
135148887 |
1 |
ClSO3N4C26H27 |
ABC3D4E26F27 |
-39.81 |
8.77 |
-8.39 |
-1.48 |
0 |
|
|
426571 |
135149020 |
1 |
SCl2O2N4C15H18 |
AB2C2D4E15F18 |
-46.13 |
8.93 |
-8.85 |
-1.58 |
0 |
|
|
426572 |
135149825 |
1 |
S2O4N8C17H20 |
A2B4C8D17E20 |
5.38 |
6.74 |
-9.55 |
-1.14 |
0 |
|
|
426573 |
135150134 |
1 |
S2O5N8H16C17 |
A2B5C8D16E17 |
3.1 |
9.22 |
-9.23 |
-1.34 |
0 |
|
|
426574 |
135150215 |
1 |
S2N9O9C47H53 |
A2B9C9D47E53 |
-151.77 |
14.66 |
-8.43 |
-0.88 |
0 |
|
|
426575 |
135150325 |
2 |
ON4C13H13 |
AB4C13D13 |
76.21 |
10.22 |
-8.62 |
-1.08 |
0 |
|
|
426576 |
135150327 |
1 |
O2N8H20C23 |
A2B8C20D23 |
112.75 |
8.23 |
-8.84 |
-1.0 |
0 |
|
|
426577 |
135150328 |
1 |
SF3O4N6H11C14 |
AB3C4D6E11F14 |
-144.45 |
8.48 |
-9.27 |
-1.92 |
0 |
|
|
426578 |
135150521 |
1 |
SO3N5C16H21 |
AB3C5D16E21 |
-47.86 |
5.61 |
-9.12 |
-0.54 |
0 |
|
|
426579 |
135150583 |
1 |
ClFSO3N5C17H17 |
ABCD3E5F17G17 |
-44.46 |
7.99 |
-9.55 |
-1.2 |
0 |
|
|
426580 |
135150588 |
1 |
FSO3N5C17H18 |
ABC3D5E17F18 |
-38.47 |
5.82 |
-9.57 |
-0.89 |
0 |
|
|
426581 |
135150719 |
1 |
N3O3F4H23C25 |
A3B3C4D23E25 |
-247.52 |
6.61 |
-8.82 |
-1.23 |
0 |
|
|
426582 |
135150720 |
1 |
N3O3F4H23C26 |
A3B3C4D23E26 |
-241.58 |
6.62 |
-8.84 |
-1.25 |
0 |
|
|
426583 |
135150721 |
1 |
N3O3F5H20C25 |
A3B3C5D20E25 |
-270.02 |
6.6 |
-9.01 |
-1.3 |
0 |
|
|
426584 |
135150722 |
1 |
N3O4H9C11 |
A3B4C9D11 |
-20.87 |
5.25 |
-10.09 |
-1.64 |
0 |
|
|
426585 |
135150851 |
1 |
OSBr2N4H16C17 |
ABC2D4E16F17 |
38.66 |
5.61 |
-8.98 |
-1.14 |
0 |
|
|
426586 |
135150852 |
1 |
SBr2O3N4C13H14 |
AB2C3D4E13F14 |
-50.79 |
4.96 |
-9.17 |
-1.2 |
0 |
|
|
426587 |
135150854 |
1 |
ClSO3N5C16H20 |
ABC3D5E16F20 |
-56.05 |
4.39 |
-9.26 |
-0.98 |
0 |
|
|
426588 |
135150855 |
1 |
O3N5C10H15 |
A3B5C10D15 |
-72.59 |
4.63 |
-9.58 |
-0.49 |
0 |
|
|
426589 |
135151068 |
1 |
SN2O2F6H12C16 |
AB2C2D6E12F16 |
-299.91 |
3.38 |
-9.79 |
-1.63 |
0 |
|
|
426590 |
135151124 |
1 |
ClFN4H26C28 |
ABC4D26E28 |
55.75 |
6.18 |
-8.93 |
-0.73 |
0 |
|
|
426591 |
135151133 |
1 |
ClOF4N6H15C23 |
ABC4D6E15F23 |
-78.25 |
6.11 |
-9.44 |
-1.09 |
0 |
|
|
426592 |
135151134 |
1 |
N2O2C17H18 |
A2B2C17D18 |
2.0 |
4.03 |
-9.4 |
-0.4 |
0 |
|
|
426593 |
135151211 |
1 |
BrClNOC5H5 |
ABCDE5F5 |
-57.97 |
6.8 |
-10.03 |
-1.24 |
0 |
|
|
426594 |
135151332 |
1 |
ClFOSN7H25C27 |
ABCDE7F25G27 |
57.82 |
6.65 |
-8.41 |
-1.04 |
0 |
|
|
426595 |
135151410 |
2 |
ON4C9H10 |
AB4C9D10 |
33.95 |
6.4 |
-8.84 |
-1.13 |
0 |
|
|
426596 |
135151600 |
1 |
O2F3N7H24C27 |
A2B3C7D24E27 |
-97.94 |
10.69 |
-9.18 |
-1.41 |
0 |
|
|
426597 |
135151601 |
1 |
O2F3N7H24C27 |
A2B3C7D24E27 |
-100.72 |
10.62 |
-9.13 |
-1.42 |
0 |
|
|
426598 |
135151603 |
1 |
O4N6C19H22 |
A4B6C19D22 |
-85.83 |
4.97 |
-8.71 |
-0.42 |
0 |
|
|
426599 |
135151725 |
1 |
ClNO3C5H12 |
ABC3D5E12 |
-191.64 |
3.77 |
-10.32 |
0.24 |
0 |
|
|
426600 |
135151726 |
1 |
NSO4C21H23 |
ABC4D21E23 |
-128.92 |
3.87 |
-8.89 |
-0.6 |
0 |
|
|
426601 |
135151727 |
1 |
NO2C15H15 |
AB2C15D15 |
-6.32 |
3.51 |
-8.91 |
-0.05 |
0 |
|
|
426602 |
135151728 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-48.03 |
6.96 |
-9.86 |
-1.68 |
0 |
|
|
426603 |
135151729 |
3 |
NO2H5C6 |
AB2C5D6 |
-42.17 |
3.78 |
-9.86 |
-1.9 |
0 |
|
|
426604 |
135151730 |
1 |
N3O5C23H25 |
A3B5C23D25 |
-87.41 |
4.79 |
-8.41 |
-0.95 |
0 |
|
|
426605 |
135151734 |
1 |
N2O5C20H20 |
A2B5C20D20 |
-122.88 |
5.65 |
-8.99 |
-0.54 |
0 |
|
|
426606 |
135151857 |
1 |
BrF2O2N3C13H16 |
AB2C2D3E13F16 |
-83.81 |
4.95 |
-9.31 |
-1.43 |
0 |
|
|
426607 |
135151858 |
2 |
NO2C13H13 |
AB2C13D13 |
-70.12 |
3.12 |
-9.24 |
-0.58 |
0 |
|
|
426608 |
135151859 |
1 |
ClO3N4C23H29 |
AB3C4D23E29 |
-71.76 |
5.11 |
-8.6 |
-0.85 |
0 |
|
|
426609 |
135151860 |
1 |
NSO4C9H15 |
ABC4D9E15 |
-172.67 |
3.21 |
-9.09 |
0.06 |
0 |
|
|
426610 |
135151861 |
1 |
FN2O4C23H25 |
AB2C4D23E25 |
-141.26 |
5.29 |
-8.49 |
-0.86 |
0 |
|
|
426611 |
135152002 |
1 |
FN2O4H21C25 |
AB2C4D21E25 |
-73.93 |
6.8 |
-8.32 |
-0.99 |
0 |
|
|
426612 |
135152004 |
1 |
SN2O5C26H26 |
AB2C5D26E26 |
-91.2 |
9.06 |
-8.3 |
-0.94 |
0 |
|
|
426613 |
135152005 |
1 |
SN2O5C26H28 |
AB2C5D26E28 |
-112.02 |
9.62 |
-9.38 |
-0.56 |
0 |
|
|
426614 |
135152147 |
1 |
NF3O4C10H14 |
AB3C4D10E14 |
-311.58 |
5.17 |
-10.22 |
-0.38 |
0 |
|
|
426615 |
135152149 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-66.85 |
3.92 |
-9.24 |
-0.58 |
0 |
|
|
426616 |
135152152 |
2 |
NO2C14H15 |
AB2C14D15 |
-79.3 |
3.82 |
-9.29 |
-0.63 |
0 |
|
|
426617 |
135152154 |
1 |
FNO3H14C15 |
ABC3D14E15 |
-111.38 |
4.75 |
-9.42 |
-0.68 |
0 |
|
|
426618 |
135152282 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-159.67 |
12.79 |
-9.49 |
-0.91 |
0 |
|
|
426619 |
135152324 |
1 |
ClFNOC11H11 |
ABCDE11F11 |
-62.05 |
3.0 |
-9.77 |
-0.77 |
0 |
|
|
426620 |
135152512 |
4 |
NC5H5 |
AB5C5 |
103.03 |
1.11 |
-9.62 |
-1.25 |
0 |
|
|
426621 |
135153005 |
1 |
N2H20C21 |
A2B20C21 |
69.71 |
4.6 |
-9.13 |
-0.77 |
0 |
|
|
426622 |
135153015 |
1 |
O3N4C26H34 |
A3B4C26D34 |
-76.65 |
7.16 |
-8.94 |
-0.95 |
0 |
|
|
426623 |
135153024 |
1 |
SF3N3H12C17 |
AB3C3D12E17 |
-42.65 |
2.88 |
-9.36 |
-1.7 |
0 |
|
|
426624 |
135153025 |
1 |
N6O12C49H72 |
A6B12C49D72 |
-507.62 |
9.02 |
-9.03 |
-1.79 |
0 |
|
|
426625 |
135153033 |
1 |
F3N3H16C20 |
A3B3C16D20 |
-46.24 |
2.96 |
-9.83 |
-1.43 |
0 |
|
|
426626 |
135153034 |
1 |
SN3H17C18 |
AB3C17D18 |
91.5 |
2.46 |
-9.18 |
-1.06 |
0 |
|
|
426627 |
135153035 |
1 |
ClOS2N3C24H26 |
ABC2D3E24F26 |
53.3 |
7.58 |
-8.48 |
-1.06 |
0 |
|
|
426628 |
135153036 |
1 |
N3H19C20 |
A3B19C20 |
89.37 |
2.99 |
-9.02 |
-1.06 |
0 |
|
|
426629 |
135153038 |
1 |
ClN2H21C22 |
AB2C21D22 |
73.05 |
2.19 |
-9.32 |
-0.8 |
0 |
|
|
426630 |
135153042 |
1 |
ClF2N3H16C20 |
AB2C3D16E20 |
-1.25 |
4.19 |
-9.52 |
-1.61 |
0 |
|
|
426631 |
135153043 |
1 |
FN3H16C19 |
AB3C16D19 |
51.53 |
3.75 |
-9.65 |
-1.17 |
0 |
|
|
426632 |
135153044 |
1 |
ClFN4H18C20 |
ABC4D18E20 |
57.86 |
3.82 |
-9.61 |
-1.61 |
0 |
|
|
426633 |
135153047 |
2 |
FN2H9C10 |
AB2C9D10 |
15.71 |
2.88 |
-9.63 |
-1.6 |
0 |
|
|
426634 |
135153048 |
1 |
F2N3H17C20 |
A2B3C17D20 |
4.73 |
3.82 |
-9.59 |
-1.42 |
0 |
|
|
426635 |
135153050 |
4 |
NC5H5 |
AB5C5 |
102.3 |
2.04 |
-9.4 |
-1.24 |
0 |
|
|
426636 |
135153064 |
1 |
F3O3N4C24H31 |
A3B3C4D24E31 |
-246.55 |
8.36 |
-9.1 |
-1.26 |
0 |
|
|
426637 |
135153065 |
1 |
SN4C17H18 |
AB4C17D18 |
99.98 |
7.6 |
-9.29 |
-0.93 |
0 |
|
|
426638 |
135153068 |
1 |
N3C25H29 |
A3B25C29 |
63.63 |
3.45 |
-8.62 |
-0.5 |
0 |
|
|
426639 |
135153074 |
1 |
ClOSN3F4H6C11 |
ABCD3E4F6G11 |
-173.4 |
3.87 |
-9.75 |
-2.1 |
0 |
|
|
426640 |
135153077 |
1 |
ClO3N4C23H31 |
AB3C4D23E31 |
-90.33 |
8.87 |
-8.75 |
-0.96 |
0 |
|
|
426641 |
135153080 |
1 |
ClO3N4C23H31 |
AB3C4D23E31 |
-94.26 |
8.19 |
-8.84 |
-1.01 |
0 |
|
|
426642 |
135153090 |
1 |
F3N3H14C19 |
A3B3C14D19 |
-45.57 |
3.69 |
-9.87 |
-1.34 |
0 |
|
|
426643 |
135153096 |
1 |
NSO2C14H17 |
ABC2D14E17 |
-57.4 |
7.88 |
-8.6 |
-0.91 |
0 |
|
|
426644 |
135153103 |
1 |
OF2N2H18C21 |
AB2C2D18E21 |
-60.85 |
4.84 |
-9.06 |
-0.76 |
0 |
|
|
426645 |
135153120 |
1 |
ClN3H20C21 |
AB3C20D21 |
84.78 |
3.45 |
-9.51 |
-1.18 |
0 |
|
|
426646 |
135153127 |
1 |
BrNF3O3H7C9 |
ABC3D3E7F9 |
-241.17 |
3.24 |
-9.94 |
-1.78 |
0 |
|
|
426647 |
135153133 |
1 |
F2N4H20C21 |
A2B4C20D21 |
17.12 |
4.59 |
-9.44 |
-1.71 |
0 |
|
|
426648 |
135153134 |
1 |
F2H3N3C8 |
A2B3C3D8 |
19.31 |
1.8 |
-9.45 |
-1.62 |
0 |
|
|
426649 |
135153135 |
1 |
FN3H16C21 |
AB3C16D21 |
107.88 |
4.05 |
-9.29 |
-1.34 |
0 |
|
|
426650 |
135153136 |
1 |
N3H17C20 |
A3B17C20 |
113.26 |
2.0 |
-9.22 |
-1.04 |
0 |
|
|
426651 |
135153137 |
1 |
F3N3H16C20 |
A3B3C16D20 |
-72.16 |
3.8 |
-9.78 |
-1.2 |
0 |
|
|
426652 |
135153142 |
1 |
OF3N3H16C20 |
AB3C3D16E20 |
-115.85 |
1.05 |
-9.6 |
-1.18 |
0 |
|
|
426653 |
135153143 |
1 |
FON4C21H21 |
ABC4D21E21 |
29.46 |
1.79 |
-9.28 |
-1.34 |
0 |
|
|
426654 |
135153144 |
1 |
NF2O3H15C20 |
AB2C3D15E20 |
-142.43 |
4.82 |
-9.22 |
-1.32 |
0 |
|
|
426655 |
135153158 |
1 |
ClFN3O3C24H31 |
ABC3D3E24F31 |
-157.99 |
8.48 |
-8.54 |
-0.61 |
0 |
|
|
426656 |
135153162 |
1 |
NF2O2H17C21 |
AB2C2D17E21 |
-122.38 |
5.87 |
-9.49 |
-1.14 |
0 |
|
|
426657 |
135153169 |
1 |
ClO2N3C25H34 |
AB2C3D25E34 |
-79.21 |
5.79 |
-8.61 |
-0.54 |
0 |
|
|
426658 |
135153170 |
1 |
SBr2N3H13C17 |
AB2C3D13E17 |
111.53 |
3.33 |
-9.09 |
-1.56 |
0 |
|
|
426659 |
135153183 |
1 |
N3F7H12C20 |
A3B7C12D20 |
-241.3 |
7.18 |
-10.09 |
-1.82 |
0 |