List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
250000 |
103093411 |
1 |
NOC11H23 |
ABC11D23 |
-61.79 |
1.66 |
-8.65 |
1.28 |
0 |
|
|
250001 |
103093416 |
1 |
NO2C17H27 |
AB2C17D27 |
-72.55 |
1.46 |
-8.11 |
0.36 |
0 |
|
|
250002 |
103093417 |
1 |
NO2C17H27 |
AB2C17D27 |
-72.55 |
1.66 |
-8.11 |
0.37 |
0 |
|
|
250003 |
103093422 |
1 |
ON2C14H20 |
AB2C14D20 |
-27.27 |
4.69 |
-9.08 |
-0.18 |
0 |
|
|
250004 |
103093442 |
1 |
NOBr2C15H21 |
ABC2D15E21 |
-24.34 |
3.94 |
-9.12 |
-0.4 |
0 |
|
|
250005 |
103093472 |
1 |
NOC12H23 |
ABC12D23 |
-65.67 |
2.31 |
-8.61 |
1.14 |
0 |
|
|
250006 |
103093474 |
1 |
ClN2C16H19 |
AB2C16D19 |
34.85 |
2.17 |
-8.77 |
-0.84 |
0 |
|
|
250007 |
103093480 |
1 |
NSC12H19 |
ABC12D19 |
8.62 |
0.62 |
-8.91 |
0.25 |
0 |
|
|
250008 |
103093481 |
1 |
NOC18H29 |
ABC18D29 |
-48.58 |
1.9 |
-8.52 |
0.33 |
0 |
|
|
250009 |
103093495 |
1 |
NF2C13H17 |
AB2C13D17 |
-78.26 |
0.56 |
-8.93 |
-0.2 |
0 |
|
|
250010 |
103093500 |
1 |
NOC18H23 |
ABC18D23 |
-8.54 |
1.78 |
-8.25 |
-0.35 |
0 |
|
|
250011 |
103093507 |
2 |
NC7H11 |
AB7C11 |
11.31 |
3.62 |
-8.99 |
0.08 |
0 |
|
|
250012 |
103093510 |
1 |
N3C16H29 |
A3B16C29 |
4.61 |
1.91 |
-8.65 |
0.81 |
0 |
|
|
250013 |
103093522 |
1 |
NOBr2C16H23 |
ABC2D16E23 |
-28.14 |
3.53 |
-9.1 |
-0.45 |
0 |
|
|
250014 |
103093524 |
1 |
ClNO2C17H26 |
ABC2D17E26 |
-78.04 |
3.78 |
-8.62 |
-0.03 |
0 |
|
|
250015 |
103093544 |
1 |
NF2C14H19 |
AB2C14D19 |
-84.51 |
2.82 |
-8.97 |
-0.24 |
0 |
|
|
250016 |
103093553 |
1 |
NOC14H21 |
ABC14D21 |
-34.77 |
2.81 |
-8.95 |
0.3 |
0 |
|
|
250017 |
103093559 |
1 |
N3C17H23 |
A3B17C23 |
49.78 |
6.06 |
-8.96 |
-0.45 |
0 |
|
|
250018 |
103093586 |
1 |
NC15H23 |
AB15C23 |
1.07 |
0.97 |
-8.92 |
0.58 |
0 |
|
|
250019 |
103093591 |
1 |
BrNC15H22 |
ABC15D22 |
2.38 |
1.83 |
-8.83 |
0.05 |
0 |
|
|
250020 |
103093600 |
3 |
NC4H7 |
AB4C7 |
28.92 |
2.86 |
-8.77 |
0.7 |
0 |
|
|
250021 |
103093601 |
1 |
ClNO2C15H20 |
ABC2D15E20 |
-60.6 |
2.37 |
-8.8 |
-0.26 |
0 |
|
|
250022 |
103093603 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-0.85 |
6.6 |
-9.21 |
-1.35 |
0 |
|
|
250023 |
103093625 |
1 |
NO2C16H25 |
AB2C16D25 |
-63.25 |
2.8 |
-8.61 |
0.16 |
0 |
|
|
250024 |
103093657 |
1 |
NSC12H19 |
ABC12D19 |
15.18 |
2.64 |
-8.89 |
0.09 |
0 |
|
|
250025 |
103093672 |
1 |
NSBr2C12H17 |
ABC2D12E17 |
27.41 |
2.79 |
-9.01 |
-0.84 |
0 |
|
|
250026 |
103093688 |
1 |
SCl2N2C11H16 |
AB2C2D11E16 |
18.69 |
2.66 |
-9.11 |
-1.01 |
0 |
|
|
250027 |
103093689 |
1 |
NC14H27 |
AB14C27 |
-36.3 |
1.21 |
-8.75 |
1.32 |
0 |
|
|
250028 |
103093693 |
1 |
ClNC14H20 |
ABC14D20 |
0.28 |
2.68 |
-9.05 |
0.04 |
0 |
|
|
250029 |
103093697 |
1 |
BrNC14H20 |
ABC14D20 |
12.43 |
3.29 |
-9.07 |
0.03 |
0 |
|
|
250030 |
103093698 |
1 |
NOC15H23 |
ABC15D23 |
-29.53 |
2.92 |
-8.52 |
0.35 |
0 |
|
|
250031 |
103093702 |
1 |
NO2C16H25 |
AB2C16D25 |
-78.21 |
3.95 |
-8.36 |
0.26 |
0 |
|
|
250032 |
103093708 |
1 |
ClFNC14H19 |
ABCD14E19 |
-45.63 |
4.68 |
-9.08 |
-0.27 |
0 |
|
|
250033 |
103093710 |
1 |
NO3C16H23 |
AB3C16D23 |
-89.31 |
2.87 |
-8.4 |
0.19 |
0 |
|
|
250034 |
103093719 |
1 |
ClNOF2C15H20 |
ABCD2E15F20 |
-144.02 |
1.73 |
-9.06 |
-0.58 |
0 |
|
|
250035 |
103093729 |
1 |
NO3C17H27 |
AB3C17D27 |
-100.57 |
3.86 |
-8.4 |
0.4 |
0 |
|
|
250036 |
103093731 |
2 |
NC7H12 |
AB7C12 |
5.3 |
3.58 |
-8.33 |
0.85 |
0 |
|
|
250037 |
103093733 |
1 |
ClNSC12H18 |
ABCD12E18 |
6.79 |
1.9 |
-8.88 |
-0.6 |
0 |
|
|
250038 |
103093735 |
1 |
SN2C11H18 |
AB2C11D18 |
24.37 |
2.11 |
-9.05 |
-0.51 |
0 |
|
|
250039 |
103093749 |
1 |
ON2C16H22 |
AB2C16D22 |
10.95 |
2.83 |
-8.9 |
0.02 |
0 |
|
|
250040 |
103093750 |
1 |
BrNOF2C15H20 |
ABCD2E15F20 |
-131.8 |
1.37 |
-9.03 |
-0.51 |
0 |
|
|
250041 |
103093758 |
1 |
ClN3C15H20 |
AB3C15D20 |
38.78 |
4.62 |
-8.65 |
-0.61 |
0 |
|
|
250042 |
103093765 |
1 |
NF3C15H20 |
AB3C15D20 |
-152.55 |
4.52 |
-9.12 |
-0.43 |
0 |
|
|
250043 |
103093770 |
1 |
NOC16H25 |
ABC16D25 |
-31.8 |
0.95 |
-8.86 |
0.41 |
0 |
|
|
250044 |
103093774 |
1 |
BrNSC12H18 |
ABCD12E18 |
17.19 |
1.44 |
-9.03 |
-0.36 |
0 |
|
|
250045 |
103093776 |
1 |
BrN2C17H21 |
AB2C17D21 |
41.67 |
2.25 |
-8.8 |
-0.87 |
0 |
|
|
250046 |
103093783 |
1 |
NOC19H31 |
ABC19D31 |
-53.53 |
1.97 |
-8.51 |
0.33 |
0 |
|
|
250047 |
103093786 |
1 |
BrNO2C17H26 |
ABC2D17E26 |
-68.11 |
4.01 |
-8.33 |
-0.02 |
0 |
|
|
250048 |
103093790 |
1 |
NOC14H23 |
ABC14D23 |
-36.09 |
0.96 |
-8.32 |
0.2 |
0 |
|
|
250049 |
103093792 |
1 |
NSC14H23 |
ABC14D23 |
-0.44 |
0.85 |
-8.86 |
0.25 |
0 |