List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
253000 |
103115383 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-61.71 |
6.48 |
-9.61 |
-1.2 |
0 |
|
|
253001 |
103115384 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-68.01 |
6.65 |
-9.54 |
-1.13 |
0 |
|
|
253002 |
103115388 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-74.16 |
8.31 |
-9.66 |
-1.22 |
0 |
|
|
253003 |
103115389 |
1 |
SO2N4C10H12 |
AB2C4D10E12 |
-18.84 |
7.41 |
-9.62 |
-1.22 |
0 |
|
|
253004 |
103115407 |
2 |
OSN2C6H8 |
ABC2D6E8 |
-19.06 |
8.66 |
-8.97 |
-1.2 |
0 |
|
|
253005 |
103115416 |
1 |
SO2N4C13H16 |
AB2C4D13E16 |
-12.82 |
7.21 |
-9.62 |
-1.16 |
0 |
|
|
253006 |
103115417 |
2 |
OSN2C6H8 |
ABC2D6E8 |
-18.79 |
6.11 |
-8.93 |
-1.17 |
0 |
|
|
253007 |
103115420 |
1 |
SO2N4C13H18 |
AB2C4D13E18 |
-32.97 |
7.55 |
-9.61 |
-1.22 |
0 |
|
|
253008 |
103115422 |
1 |
SO3N4H12C13 |
AB3C4D12E13 |
-17.37 |
7.26 |
-9.61 |
-1.27 |
0 |
|
|
253009 |
103115453 |
1 |
SO3N5C11H13 |
AB3C5D11E13 |
-48.75 |
2.92 |
-9.6 |
-1.16 |
0 |
|
|
253010 |
103115456 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-64.92 |
6.95 |
-9.59 |
-1.11 |
0 |
|
|
253011 |
103115461 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-73.6 |
5.37 |
-9.12 |
-0.88 |
0 |
|
|
253012 |
103115472 |
1 |
SO2N4C10H12 |
AB2C4D10E12 |
-8.51 |
5.25 |
-9.54 |
-1.07 |
0 |
|
|
253013 |
103115475 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-64.25 |
4.34 |
-9.55 |
-1.16 |
0 |
|
|
253014 |
103115481 |
1 |
SO2N5C11H15 |
AB2C5D11E15 |
-7.29 |
5.82 |
-9.55 |
-1.08 |
0 |
|
|
253015 |
103115485 |
1 |
SO2N4C14H18 |
AB2C4D14E18 |
-0.77 |
3.53 |
-9.14 |
-1.05 |
0 |
|
|
253016 |
103115487 |
1 |
FSO2N4C11H13 |
ABC2D4E11F13 |
-58.18 |
2.83 |
-9.25 |
-1.2 |
0 |
|
|
253017 |
103115488 |
1 |
O3N6C11H14 |
A3B6C11D14 |
-45.82 |
10.18 |
-9.7 |
-0.86 |
0 |
|
|
253018 |
103115489 |
1 |
O3N6C12H14 |
A3B6C12D14 |
-13.82 |
7.75 |
-9.55 |
-1.07 |
0 |
|
|
253019 |
103115526 |
1 |
SO2N6H10C11 |
AB2C6D10E11 |
50.83 |
9.89 |
-9.72 |
-1.38 |
0 |
|
|
253020 |
103115536 |
1 |
O3N6C11H14 |
A3B6C11D14 |
-39.16 |
8.57 |
-9.76 |
-1.04 |
0 |
|
|
253021 |
103115537 |
1 |
O2N5C13H19 |
A2B5C13D19 |
-21.85 |
5.2 |
-9.77 |
-1.04 |
0 |
|
|
253022 |
103115542 |
1 |
O3N5C12H17 |
A3B5C12D17 |
-50.61 |
5.93 |
-9.83 |
-1.09 |
0 |
|
|
253023 |
103115550 |
1 |
O3N5C12H17 |
A3B5C12D17 |
-64.58 |
6.92 |
-9.75 |
-1.04 |
0 |
|
|
253024 |
103115554 |
1 |
O3N5C11H15 |
A3B5C11D15 |
-57.84 |
5.91 |
-9.82 |
-1.14 |
0 |
|
|
253025 |
103115558 |
1 |
O2N5C12H17 |
A2B5C12D17 |
-16.79 |
5.84 |
-9.77 |
-1.03 |
0 |
|
|
253026 |
103115563 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-10.36 |
9.31 |
-9.74 |
-0.89 |
0 |
|
|
253027 |
103115580 |
1 |
SO2N5H11C12 |
AB2C5D11E12 |
37.24 |
5.5 |
-9.64 |
-1.08 |
0 |
|
|
253028 |
103115581 |
1 |
SO2N6C12H12 |
AB2C6D12E12 |
34.97 |
4.37 |
-9.65 |
-1.12 |
0 |
|
|
253029 |
103115586 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-19.77 |
5.95 |
-9.73 |
-0.96 |
0 |
|
|
253030 |
103115599 |
1 |
F2O2N5C9H9 |
A2B2C5D9E9 |
-95.51 |
3.14 |
-9.96 |
-1.34 |
0 |
|
|
253031 |
103115603 |
1 |
O4N6C11H12 |
A4B6C11D12 |
-72.57 |
3.57 |
-10.0 |
-1.43 |
0 |
|
|
253032 |
103115622 |
3 |
ON2C4H4 |
AB2C4D4 |
22.26 |
3.48 |
-9.75 |
-1.18 |
0 |
|
|
253033 |
103115623 |
1 |
O3N7C11H11 |
A3B7C11D11 |
30.97 |
7.31 |
-9.74 |
-1.07 |
0 |
|
|
253034 |
103115628 |
1 |
O4N5C12H17 |
A4B5C12D17 |
-91.17 |
7.13 |
-9.8 |
-1.0 |
0 |
|
|
253035 |
103115631 |
1 |
FO2N5C9H10 |
AB2C5D9E10 |
-44.18 |
5.28 |
-9.79 |
-1.11 |
0 |
|
|
253036 |
103115637 |
1 |
O2N6C13H20 |
A2B6C13D20 |
-0.68 |
4.41 |
-9.27 |
-0.7 |
0 |
|
|
253037 |
103115647 |
1 |
ON4C10H16 |
AB4C10D16 |
-5.56 |
4.31 |
-9.22 |
0.27 |
0 |
|
|
253038 |
103115653 |
1 |
ON5C14H19 |
AB5C14D19 |
24.71 |
2.55 |
-9.09 |
-1.19 |
0 |
|
|
253039 |
103115657 |
1 |
ON4C13H22 |
AB4C13D22 |
-14.15 |
6.36 |
-8.86 |
0.45 |
0 |
|
|
253040 |
103115658 |
1 |
ON5C15H21 |
AB5C15D21 |
22.49 |
4.68 |
-9.05 |
-1.12 |
0 |
|
|
253041 |
103115666 |
1 |
ON4C13H22 |
AB4C13D22 |
-12.95 |
5.8 |
-8.87 |
0.36 |
0 |
|
|
253042 |
103115668 |
1 |
ON5C15H21 |
AB5C15D21 |
23.65 |
3.63 |
-9.03 |
-1.12 |
0 |
|
|
253043 |
103115672 |
1 |
ON4C10H16 |
AB4C10D16 |
-5.15 |
5.77 |
-8.97 |
0.3 |
0 |
|
|
253044 |
103115690 |
2 |
ON3C6H9 |
AB3C6D9 |
-3.9 |
3.07 |
-9.61 |
-0.64 |
0 |
|
|
253045 |
103115694 |
1 |
ON4C16H22 |
AB4C16D22 |
6.95 |
6.27 |
-8.87 |
-0.43 |
0 |
|
|
253046 |
103115697 |
1 |
ON4C16H22 |
AB4C16D22 |
5.3 |
2.68 |
-8.94 |
-0.81 |
0 |
|
|
253047 |
103115704 |
1 |
ON5C15H21 |
AB5C15D21 |
20.96 |
2.61 |
-9.19 |
-1.18 |
0 |
|
|
253048 |
103115706 |
1 |
O3N5C12H17 |
A3B5C12D17 |
-55.45 |
2.71 |
-9.79 |
-0.87 |
0 |
|
|
253049 |
103115709 |
1 |
O2F3N5C11H12 |
A2B3C5D11E12 |
-155.16 |
4.08 |
-9.93 |
-1.1 |
0 |