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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
427866 |
135164693 |
1 |
BrClON3C17H19 |
ABCD3E17F19 |
30.39 |
2.21 |
-9.32 |
-0.72 |
0 |
|
|
427867 |
135164694 |
1 |
BrClN2O2C19H20 |
ABC2D2E19F20 |
-13.0 |
3.15 |
-9.23 |
-0.54 |
0 |
|
|
427868 |
135164720 |
1 |
BrClON2C22H28 |
ABCD2E22F28 |
-22.39 |
4.96 |
-8.98 |
-0.58 |
0 |
|
|
427869 |
135164728 |
1 |
BrClON2C23H30 |
ABCD2E23F30 |
-26.73 |
5.1 |
-8.89 |
-0.56 |
0 |
|
|
427870 |
135164731 |
1 |
BrClN3C18H21 |
ABC3D18E21 |
53.08 |
4.23 |
-8.48 |
-0.29 |
0 |
|
|
427871 |
135164735 |
1 |
BrClN2O4C28H30 |
ABC2D4E28F30 |
-104.99 |
6.41 |
-9.05 |
-0.87 |
0 |
|
|
427872 |
135164766 |
1 |
BrClO2N4C24H28 |
ABC2D4E24F28 |
-15.41 |
2.06 |
-9.05 |
-0.7 |
0 |
|
|
427873 |
135164826 |
1 |
ON3C23H31 |
AB3C23D31 |
5.61 |
1.92 |
-8.83 |
-0.64 |
0 |
|
|
427874 |
135164828 |
1 |
OSN3C23H31 |
ABC3D23E31 |
24.52 |
4.17 |
-8.74 |
-0.71 |
0 |
|
|
427875 |
135164829 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-45.72 |
8.84 |
-8.87 |
-0.67 |
0 |
|
|
427876 |
135164830 |
1 |
ON3C21H25 |
AB3C21D25 |
60.81 |
4.91 |
-8.92 |
-0.74 |
0 |
|
|
427877 |
135164861 |
1 |
SCl2N3O3C22H27 |
AB2C3D3E22F27 |
-69.06 |
5.97 |
-9.05 |
-1.13 |
0 |
|
|
427878 |
135164863 |
1 |
BrClO2N3C22H25 |
ABC2D3E22F25 |
-8.31 |
3.76 |
-9.21 |
-0.78 |
0 |
|
|
427879 |
135164883 |
1 |
BrClO2N3C23H27 |
ABC2D3E23F27 |
-41.83 |
5.01 |
-8.96 |
-0.68 |
0 |
|
|
427880 |
135164888 |
1 |
SO2N6C24H30 |
AB2C6D24E30 |
25.25 |
2.32 |
-9.17 |
-1.18 |
0 |
|
|
427881 |
135164897 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-30.88 |
0.9 |
-9.05 |
0.02 |
0 |
|
|
427882 |
135164901 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-18.14 |
4.49 |
-8.76 |
-0.3 |
0 |
|
|
427883 |
135164902 |
1 |
BrClON2C23H26 |
ABCD2E23F26 |
23.07 |
5.07 |
-8.87 |
-0.74 |
0 |
|
|
427884 |
135164903 |
1 |
O2N3C21H27 |
A2B3C21D27 |
0.94 |
1.74 |
-8.78 |
-0.22 |
0 |
|
|
427885 |
135164908 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-19.02 |
4.01 |
-8.8 |
-0.27 |
0 |
|
|
427886 |
135164921 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-103.59 |
1.71 |
-8.7 |
-0.16 |
0 |
|
|
427887 |
135164973 |
2 |
O3N7C30H40 |
A3B7C30D40 |
-144.46 |
4.47 |
-9.28 |
0.15 |
0 |
|
|
427888 |
135164974 |
1 |
NO2C15H29 |
AB2C15D29 |
-129.76 |
5.23 |
-8.81 |
0.91 |
0 |
|
|
427889 |
135164975 |
1 |
OC14H28 |
AB14C28 |
-105.27 |
2.81 |
-9.58 |
0.87 |
0 |
|
|
427890 |
135164976 |
1 |
OC10H14 |
AB10C14 |
-31.66 |
1.95 |
-9.11 |
0.27 |
0 |
|
|
427891 |
135164977 |
2 |
N4C20H21 |
A4B20C21 |
144.34 |
6.36 |
-8.1 |
-0.61 |
0 |
|
|
427892 |
135164978 |
1 |
O2N7C43H47 |
A2B7C43D47 |
53.83 |
8.19 |
-8.18 |
-0.91 |
0 |
|
|
427893 |
135164979 |
1 |
ClO4N5H32C33 |
AB4C5D32E33 |
-41.33 |
8.66 |
-8.47 |
-1.37 |
0 |
|
|
427894 |
135165018 |
1 |
NOC13H27 |
ABC13D27 |
-72.44 |
2.47 |
-8.71 |
2.14 |
0 |
|
|
427895 |
135165026 |
1 |
N2C21H42 |
A2B21C42 |
-72.57 |
2.2 |
-8.35 |
2.96 |
0 |
|
|
427896 |
135165029 |
1 |
N2O2C19H38 |
A2B2C19D38 |
-131.52 |
2.42 |
-8.25 |
2.33 |
0 |
|
|
427897 |
135165033 |
1 |
NO2C21H41 |
AB2C21D41 |
-154.02 |
2.45 |
-8.46 |
2.38 |
0 |
|
|
427898 |
135165038 |
1 |
O2N3C20H35 |
A2B3C20D35 |
-101.34 |
1.53 |
-8.26 |
0.07 |
0 |
|
|
427899 |
135165178 |
1 |
ClO4N8C39H45 |
AB4C8D39E45 |
-85.14 |
5.44 |
-8.67 |
-0.38 |
0 |
|
|
427900 |
135165282 |
1 |
ClO3N8C40H51 |
AB3C8D40E51 |
-77.1 |
5.88 |
-8.61 |
-0.29 |
0 |
|
|
427901 |
135165290 |
1 |
ClNO3C20H24 |
ABC3D20E24 |
-8.93 |
5.86 |
-8.77 |
-0.03 |
0 |
|
|
427902 |
135165296 |
1 |
NO3C12H13 |
AB3C12D13 |
-90.4 |
3.62 |
-9.34 |
-0.43 |
0 |
|
|
427903 |
135165314 |
1 |
ON2C10H12 |
AB2C10D12 |
-6.98 |
8.56 |
-8.38 |
-0.31 |
0 |
|
|
427904 |
135165315 |
1 |
NOC11H13 |
ABC11D13 |
-15.51 |
4.39 |
-8.03 |
-0.26 |
0 |
|
|
427905 |
135165335 |
2 |
OC7H10 |
AB7C10 |
-79.69 |
1.99 |
-9.18 |
0.26 |
0 |
|
|
427906 |
135165370 |
2 |
OC6H7 |
AB6C7 |
-78.1 |
5.47 |
-9.01 |
-0.64 |
0 |
|
|
427907 |
135165376 |
1 |
FNOC9H16 |
ABCD9E16 |
-83.58 |
3.25 |
-9.04 |
-0.27 |
0 |
|
|
427908 |
135165437 |
1 |
FNC9H18 |
ABC9D18 |
-68.92 |
0.13 |
-8.95 |
2.39 |
0 |
|
|
427909 |
135165444 |
1 |
ON2C9H16 |
AB2C9D16 |
-19.59 |
4.93 |
-9.23 |
0.08 |
0 |
|
|
427910 |
135165470 |
1 |
NOC11H21 |
ABC11D21 |
-47.23 |
2.14 |
-8.7 |
-0.06 |
0 |
|
|
427911 |
135165471 |
2 |
NOC6H11 |
ABC6D11 |
-87.61 |
2.28 |
-9.01 |
-0.16 |
0 |
|
|
427912 |
135165472 |
1 |
NO3C14H25 |
AB3C14D25 |
-160.17 |
4.03 |
-9.6 |
-0.09 |
0 |
|
|
427913 |
135165473 |
1 |
NOC9H17 |
ABC9D17 |
-44.22 |
2.11 |
-9.2 |
-0.03 |
0 |
|
|
427914 |
135165474 |
1 |
NOC10H21 |
ABC10D21 |
-65.14 |
1.47 |
-8.77 |
2.49 |
0 |
|
|
427915 |
135165475 |
1 |
NO2C10H19 |
AB2C10D19 |
-100.42 |
3.65 |
-9.2 |
0.52 |
0 |
|
|
427916 |
135165476 |
1 |
NOF3C12H18 |
ABC3D12E18 |
-198.46 |
0.7 |
-9.7 |
-0.19 |
0 |
|
|
427917 |
135165477 |
1 |
NOC10H17 |
ABC10D17 |
-32.14 |
4.4 |
-8.61 |
-0.09 |
0 |
|
|
427918 |
135165478 |
2 |
FNC6H12 |
ABC6D12 |
-131.47 |
2.91 |
-8.33 |
2.38 |
0 |
|
|
427919 |
135165479 |
1 |
FN2C10H21 |
AB2C10D21 |
-68.43 |
2.0 |
-8.35 |
2.33 |
0 |
|
|
427920 |
135165480 |
1 |
O2N3C14H27 |
A2B3C14D27 |
-120.61 |
3.39 |
-8.96 |
1.14 |
0 |
|
|
427921 |
135165481 |
1 |
NO2C14H29 |
AB2C14D29 |
-158.29 |
2.66 |
-9.19 |
0.99 |
0 |
|
|
427922 |
135165482 |
1 |
Cl2O3N8C31H34 |
A2B3C8D31E34 |
-37.34 |
5.82 |
-8.76 |
-0.49 |
0 |
|
|
427923 |
135165483 |
1 |
ClON3H18C19 |
ABC3D18E19 |
53.12 |
3.75 |
-8.24 |
-0.77 |
0 |
|
|
427924 |
135165484 |
1 |
N5H23C25 |
A5B23C25 |
171.44 |
4.2 |
-8.64 |
-0.63 |
0 |
|
|
427925 |
135165485 |
1 |
N2C11H18 |
A2B11C18 |
-0.71 |
3.42 |
-9.72 |
-0.17 |
0 |
|
|
427926 |
135165486 |
1 |
ON7H35C36 |
AB7C35D36 |
103.64 |
5.61 |
-8.16 |
-0.84 |
0 |
|
|
427927 |
135165490 |
1 |
ClOC13H13 |
ABC13D13 |
-33.97 |
1.51 |
-8.72 |
-0.71 |
0 |
|
|
427928 |
135165499 |
1 |
ClOC13H13 |
ABC13D13 |
-34.46 |
1.79 |
-8.9 |
-0.7 |
0 |
|
|
427929 |
135165522 |
1 |
ClFSO2N3H19C24 |
ABCD2E3F19G24 |
8.2 |
5.6 |
-7.97 |
-1.63 |
0 |
|
|
427930 |
135165523 |
1 |
ClFSN3O3H21C25 |
ABCD3E3F21G25 |
-58.64 |
7.67 |
-8.61 |
-1.59 |
0 |
|
|
427931 |
135165524 |
1 |
ClFSN3O3H21C25 |
ABCD3E3F21G25 |
-56.84 |
7.66 |
-8.6 |
-1.58 |
0 |
|
|
427932 |
135165526 |
1 |
ClFSO2N4H20C21 |
ABCD2E4F20G21 |
-16.32 |
3.9 |
-9.0 |
-1.61 |
0 |
|
|
427933 |
135165527 |
1 |
ClFSO2N4H18C20 |
ABCD2E4F18G20 |
-3.03 |
9.72 |
-8.19 |
-1.7 |
0 |
|
|
427934 |
135165528 |
1 |
ClFSO2N4H18C20 |
ABCD2E4F18G20 |
-2.41 |
8.48 |
-8.26 |
-1.74 |
0 |
|
|
427935 |
135165529 |
1 |
ClSO2N4H23C25 |
ABC2D4E23F25 |
48.3 |
7.56 |
-8.41 |
-1.44 |
0 |
|
|
427936 |
135165530 |
1 |
ClSO2N4H23C25 |
ABC2D4E23F25 |
45.99 |
7.79 |
-8.39 |
-1.44 |
0 |
|
|
427937 |
135165531 |
1 |
ClFSO2N3H23C26 |
ABCD2E3F23G26 |
-21.12 |
7.19 |
-8.4 |
-1.28 |
0 |
|
|
427938 |
135165532 |
1 |
ClFSO2N3H23C26 |
ABCD2E3F23G26 |
-24.65 |
5.04 |
-8.66 |
-1.68 |
0 |
|
|
427939 |
135165533 |
1 |
ClFSO2N3H23C26 |
ABCD2E3F23G26 |
-23.65 |
7.23 |
-8.57 |
-1.51 |
0 |
|
|
427940 |
135165534 |
1 |
ClOSF3N5H19C23 |
ABCD3E5F19G23 |
-54.18 |
2.18 |
-8.74 |
-1.58 |
0 |
|
|
427941 |
135165535 |
1 |
ClOSF3N5H19C23 |
ABCD3E5F19G23 |
-57.06 |
2.59 |
-8.73 |
-1.58 |
0 |
|
|
427942 |
135165536 |
1 |
ClSO2N3F4H16C21 |
ABC2D3E4F16G21 |
-146.89 |
6.82 |
-8.3 |
-2.08 |
0 |
|
|
427943 |
135165537 |
1 |
ClSO2N3F4H16C21 |
ABC2D3E4F16G21 |
-150.14 |
8.62 |
-8.19 |
-1.92 |
0 |
|
|
427944 |
135165538 |
1 |
ClFSO2N3H25C27 |
ABCD2E3F25G27 |
-26.3 |
4.43 |
-8.68 |
-1.71 |
0 |
|
|
427945 |
135165539 |
1 |
ClFSO2N3H25C27 |
ABCD2E3F25G27 |
-29.34 |
6.2 |
-8.5 |
-1.4 |
0 |
|
|
427946 |
135165540 |
1 |
ClFSO2N4H18C23 |
ABCD2E4F18G23 |
-17.54 |
7.1 |
-8.68 |
-1.56 |
0 |
|
|
427947 |
135165541 |
1 |
ClFSO2N4H18C23 |
ABCD2E4F18G23 |
-17.77 |
8.88 |
-8.73 |
-1.61 |
0 |
|
|
427948 |
135165542 |
1 |
O2N5C24H29 |
A2B5C24D29 |
-22.37 |
3.47 |
-8.01 |
-0.39 |
0 |
|
|
427949 |
135165543 |
1 |
ClFSO2N3H19C24 |
ABCD2E3F19G24 |
3.7 |
5.07 |
-8.41 |
-1.5 |
0 |
|
|
427950 |
135165544 |
1 |
ClSF2O2N3H20C25 |
ABC2D2E3F20G25 |
-59.34 |
5.19 |
-8.64 |
-1.7 |
0 |
|
|
427951 |
135165545 |
1 |
ClFSO2N3H19C25 |
ABCD2E3F19G25 |
1.67 |
5.02 |
-8.55 |
-1.45 |
0 |
|
|
427952 |
135165546 |
1 |
ClSF2O2N3H20C25 |
ABC2D2E3F20G25 |
-61.54 |
8.09 |
-8.56 |
-1.41 |
0 |
|
|
427953 |
135165567 |
1 |
ClFSN2O3H20C25 |
ABCD2E3F20G25 |
-62.85 |
7.43 |
-8.64 |
-1.69 |
0 |
|
|
427954 |
135165578 |
1 |
ClO4N8C31H33 |
AB4C8D31E33 |
-78.29 |
2.36 |
-8.82 |
-0.52 |
0 |
|
|
427955 |
135165579 |
1 |
ClO2N8C34H41 |
AB2C8D34E41 |
-12.27 |
3.27 |
-8.58 |
-0.33 |
0 |
|
|
427956 |
135165580 |
1 |
BrClSO2N4C15H18 |
ABCD2E4F15G18 |
-44.85 |
8.68 |
-8.84 |
-1.6 |
0 |
|
|
427957 |
135165581 |
1 |
N3O3H19C23 |
A3B3C19D23 |
7.81 |
2.34 |
-8.65 |
-1.42 |
0 |
|
|
427958 |
135165582 |
1 |
ClO5N8C44H53 |
AB5C8D44E53 |
-144.05 |
4.42 |
-8.68 |
-0.42 |
0 |
|
|
427959 |
135165583 |
1 |
ClO4N6C38H49 |
AB4C6D38E49 |
-135.87 |
6.74 |
-8.56 |
-1.01 |
0 |
|
|
427960 |
135165584 |
1 |
ClN8C38H41 |
AB8C38D41 |
151.58 |
2.56 |
-8.16 |
-0.73 |
0 |
|
|
427961 |
135165585 |
1 |
ClFSN3O3C27H27 |
ABCD3E3F27G27 |
-82.67 |
10.96 |
-8.28 |
-1.28 |
0 |
|
|
427962 |
135165586 |
1 |
ClO3N7C36H42 |
AB3C7D36E42 |
-59.24 |
5.8 |
-8.64 |
-0.86 |
0 |
|
|
427963 |
135165604 |
1 |
ClFSO4N5C30H33 |
ABCD4E5F30G33 |
-164.83 |
6.28 |
-8.52 |
-1.41 |
0 |
|
|
427964 |
135165605 |
1 |
BrN2O4C19H23 |
AB2C4D19E23 |
-160.4 |
2.82 |
-9.24 |
-1.01 |
0 |
|
|
427965 |
135165606 |
1 |
ClFON6H24C29 |
ABCD6E24F29 |
72.87 |
5.58 |
-8.94 |
-1.36 |
0 |