List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
318605 |
126652231 |
1 |
ION4C14H17 |
ABC4D14E17 |
23.78 |
1.93 |
-8.62 |
-0.99 |
0 |
|
|
318606 |
126652234 |
2 |
N2O2C9H13 |
A2B2C9D13 |
-105.11 |
5.07 |
-9.53 |
-0.15 |
0 |
|
|
318607 |
126652236 |
2 |
N2O3C14H19 |
A2B3C14D19 |
-173.97 |
3.94 |
-9.58 |
-0.1 |
0 |
|
|
318611 |
126652269 |
1 |
NO6C12H13 |
AB6C12D13 |
-149.69 |
5.12 |
-10.01 |
-1.31 |
0 |
|
|
318612 |
126652272 |
1 |
N3O6C29H29 |
A3B6C29D29 |
-117.44 |
3.04 |
-8.3 |
-0.76 |
0 |
|
|
318614 |
126652284 |
1 |
NO3H13C14 |
AB3C13D14 |
-68.91 |
8.06 |
-9.25 |
-0.76 |
0 |
|
|
318615 |
126652291 |
1 |
FN4C28H35 |
AB4C28D35 |
8.2 |
6.61 |
-8.45 |
-0.55 |
0 |
|
|
318616 |
126652305 |
8 |
NH8C13 |
AB8C13 |
512.15 |
2.98 |
-7.97 |
-1.19 |
0 |
|
|
318617 |
126652310 |
1 |
NH3C44 |
AB3C44 |
1198.8 |
1.29 |
-8.95 |
-1.64 |
0 |
|
|
318620 |
126652338 |
1 |
ClSN3O5H18C20 |
ABC3D5E18F20 |
-129.3 |
5.28 |
-8.53 |
-1.07 |
0 |
|
|
318621 |
126652343 |
1 |
ClN3O8C30H32 |
AB3C8D30E32 |
-311.86 |
6.49 |
-9.38 |
-0.71 |
0 |
|
|
318624 |
126652352 |
1 |
F2N3O3C22H23 |
A2B3C3D22E23 |
-166.3 |
2.5 |
-8.62 |
-0.54 |
0 |
|
|
318625 |
126652357 |
1 |
SN2O5C13H16 |
AB2C5D13E16 |
-172.74 |
3.28 |
-9.0 |
-0.73 |
0 |
|
|
318626 |
126652359 |
1 |
ClN2O4C18H25 |
AB2C4D18E25 |
-189.61 |
3.75 |
-9.47 |
-0.27 |
0 |
|
|
318627 |
126652365 |
1 |
ClNO2C14H20 |
ABC2D14E20 |
-97.81 |
5.62 |
-8.86 |
0.23 |
0 |
|
|
318628 |
126652373 |
1 |
ClNO3C17H22 |
ABC3D17E22 |
-134.13 |
3.0 |
-9.38 |
-0.41 |
0 |
|
|
318629 |
126652401 |
1 |
FN2O6H21C25 |
AB2C6D21E25 |
-208.2 |
6.32 |
-9.4 |
-1.36 |
0 |
|
|
318630 |
126652421 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-82.91 |
4.38 |
-9.51 |
-0.28 |
0 |
|
|
318631 |
126652439 |
1 |
ClON6C19H27 |
ABC6D19E27 |
22.12 |
2.6 |
-8.36 |
-0.06 |
0 |
|
|
318632 |
126652488 |
1 |
ClN2O4C18H27 |
AB2C4D18E27 |
-203.19 |
2.46 |
-9.41 |
-0.18 |
0 |
|
|
318633 |
126652496 |
1 |
N2O5H16C19 |
A2B5C16D19 |
-154.76 |
13.5 |
-9.35 |
-1.06 |
0 |
|
|
318634 |
126652503 |
1 |
ClN2O3C22H33 |
AB2C3D22E33 |
-156.76 |
4.58 |
-8.97 |
-0.11 |
0 |
|
|
318635 |
126652504 |
1 |
ClON2C17H25 |
ABC2D17E25 |
-36.63 |
3.04 |
-8.59 |
-0.1 |
0 |
|
|
318636 |
126652507 |
1 |
ClN2O4C22H31 |
AB2C4D22E31 |
-157.26 |
2.79 |
-9.01 |
-0.12 |
0 |
|
|
318637 |
126652511 |
1 |
ClNO2C15H22 |
ABC2D15E22 |
-94.62 |
2.15 |
-8.97 |
-0.11 |
0 |
|
|
318638 |
126652513 |
1 |
ClN2O4C17H25 |
AB2C4D17E25 |
-197.4 |
2.7 |
-9.31 |
-0.34 |
0 |
|
|
318641 |
126652520 |
1 |
NO4C19H19 |
AB4C19D19 |
-122.02 |
9.34 |
-8.89 |
-0.66 |
0 |
|
|
318642 |
126652521 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-97.92 |
5.17 |
-9.36 |
-1.65 |
0 |
|
|
318644 |
126652551 |
2 |
NSH14C24 |
ABC14D24 |
232.51 |
3.55 |
-8.09 |
-0.66 |
0 |
|
|
318645 |
126652552 |
2 |
NSH14C24 |
ABC14D24 |
229.68 |
2.3 |
-8.2 |
-0.81 |
0 |
|
|
318646 |
126652555 |
2 |
NSH14C24 |
ABC14D24 |
221.16 |
3.5 |
-8.21 |
-0.72 |
0 |
|
|
318650 |
126652560 |
2 |
NOH14C24 |
ABC14D24 |
163.43 |
1.43 |
-8.24 |
-0.66 |
0 |
|
|
318652 |
126652590 |
1 |
N3H31C48 |
A3B31C48 |
225.46 |
2.75 |
-8.01 |
-0.48 |
0 |
|
|
318653 |
126652602 |
1 |
N3H31C48 |
A3B31C48 |
225.66 |
1.3 |
-8.02 |
-0.55 |
0 |
|
|
318654 |
126652603 |
1 |
N3H31C48 |
A3B31C48 |
229.39 |
1.64 |
-7.99 |
-0.55 |
0 |
|
|
318655 |
126652604 |
1 |
SN2H26C42 |
AB2C26D42 |
192.78 |
2.93 |
-8.04 |
-0.85 |
0 |
|
|
318656 |
126652626 |
1 |
N3H31C48 |
A3B31C48 |
238.73 |
1.58 |
-7.96 |
-0.56 |
0 |
|
|
318657 |
126652631 |
2 |
NH20C27 |
AB20C27 |
193.21 |
2.63 |
-8.03 |
-0.32 |
0 |
|
|
318658 |
126652637 |
2 |
NH20C27 |
AB20C27 |
375.74 |
5.96 |
-6.91 |
-0.67 |
0 |
|
|
318659 |
126652641 |
1 |
N2H32C45 |
A2B32C45 |
185.24 |
1.39 |
-8.16 |
-0.52 |
0 |
|
|
318662 |
126652658 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-154.03 |
3.34 |
-9.18 |
1.04 |
0 |
|
|
318663 |
126652661 |
1 |
NSO6C11H17 |
ABC6D11E17 |
-135.6 |
3.33 |
-9.79 |
-0.08 |
0 |
|
|
318664 |
126652662 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-70.93 |
2.25 |
-8.03 |
-0.33 |
0 |
|
|
318665 |
126652667 |
1 |
NO3C10H15 |
AB3C10D15 |
-100.89 |
1.9 |
-9.82 |
0.67 |
0 |
|
|
318666 |
126652671 |
1 |
ClON5H14C16 |
ABC5D14E16 |
22.94 |
2.74 |
-8.88 |
-0.76 |
0 |
|
|
318667 |
126652672 |
1 |
ON3C12H13 |
AB3C12D13 |
14.17 |
6.07 |
-9.24 |
-0.54 |
0 |
|
|
318668 |
126652673 |
1 |
NO9C16H29 |
AB9C16D29 |
-420.29 |
6.88 |
-9.7 |
1.12 |
0 |
|
|
318670 |
126652675 |
1 |
NO11C16H27 |
AB11C16D27 |
-485.96 |
7.52 |
-9.78 |
0.04 |
0 |
|
|
318671 |
126652676 |
1 |
NPO10C16H28 |
ABC10D16E28 |
-437.87 |
6.22 |
-9.35 |
0.22 |
0 |
|
|
318673 |
126652679 |
2 |
NO5H16C21 |
AB5C16D21 |
-212.86 |
3.0 |
-8.91 |
-1.0 |
0 |
|
|
318675 |
126652682 |
1 |
SN3O10C52H55 |
AB3C10D52E55 |
-270.07 |
3.18 |
-8.68 |
-1.01 |
0 |
|
|
318677 |
126652684 |
1 |
SN5O14H33C44 |
AB5C14D33E44 |
-348.14 |
6.15 |
-8.49 |
-1.88 |
0 |
|
|
318679 |
126652686 |
3 |
O4H10C13 |
A4B10C13 |
-324.35 |
7.08 |
-9.38 |
-0.87 |
0 |
|
|
318680 |
126652687 |
1 |
SN3O12H35C45 |
AB3C12D35E45 |
-272.83 |
10.04 |
-8.5 |
-0.93 |
0 |
|
|
318682 |
126652689 |
2 |
O5H11C14 |
A5B11C14 |
-294.62 |
2.27 |
-9.12 |
-0.82 |
0 |
|
|
318683 |
126652690 |
1 |
O5H18C25 |
A5B18C25 |
-103.01 |
4.15 |
-8.77 |
-1.01 |
0 |
|
|
318685 |
126652704 |
2 |
FO7C28H30 |
AB7C28D30 |
-625.68 |
4.07 |
-9.24 |
-0.4 |
0 |
|
|
318686 |
126652708 |
1 |
ON2H62C70 |
AB2C62D70 |
162.96 |
2.11 |
-7.9 |
-0.7 |
0 |
|
|
318687 |
126652709 |
1 |
SN3H29C44 |
AB3C29D44 |
232.02 |
5.92 |
-8.11 |
-0.92 |
0 |
|
|
318689 |
126652712 |
1 |
SP2C18H18 |
AB2C18D18 |
64.2 |
4.05 |
-8.29 |
-0.13 |
0 |
|
|
318690 |
126652725 |
1 |
FSO3C12H17 |
ABC3D12E17 |
-180.45 |
3.91 |
-9.8 |
-0.77 |
0 |
|
|
318691 |
126652727 |
1 |
FNSO3C12H16 |
ABCD3E12F16 |
-162.46 |
8.55 |
-9.52 |
-0.97 |
0 |
|
|
318692 |
126652728 |
1 |
FSO3C12H17 |
ABC3D12E17 |
-179.36 |
6.27 |
-9.78 |
-0.85 |
0 |
|
|
318693 |
126652729 |
1 |
FSO3C11H15 |
ABC3D11E15 |
-173.51 |
6.92 |
-9.93 |
-0.88 |
0 |
|
|
318694 |
126652737 |
1 |
FPSO7C12H18 |
ABCD7E12F18 |
-414.74 |
5.56 |
-9.91 |
-0.8 |
0 |
|
|
318695 |
126652739 |
1 |
FPSO8C19H22 |
ABCD8E19F22 |
-426.93 |
4.35 |
-9.26 |
-0.78 |
0 |
|
|
318697 |
126652753 |
1 |
ClFNSO4C29H35 |
ABCDE4F29G35 |
-179.78 |
9.53 |
-9.17 |
-0.81 |
0 |
|
|
318699 |
126652756 |
1 |
ClSN2F4O4C33H33 |
ABC2D4E4F33G33 |
-297.75 |
5.81 |
-9.32 |
-1.1 |
0 |
|
|
318700 |
126652768 |
1 |
SO2F3C10H11 |
AB2C3D10E11 |
-233.18 |
3.38 |
-9.27 |
-0.76 |
0 |
|
|
318702 |
126652773 |
1 |
N2O35C83H152 |
A2B35C83D152 |
-1765.91 |
8.07 |
-9.59 |
-0.1 |
0 |
|
|
318706 |
126652793 |
2 |
N2H27C38 |
A2B27C38 |
321.53 |
3.55 |
-7.95 |
-0.69 |
0 |
|
|
318707 |
126652795 |
1 |
OH56C91 |
AB56C91 |
340.35 |
3.37 |
-8.62 |
-0.77 |
0 |
|
|
318708 |
126652796 |
1 |
N7H61C84 |
A7B61C84 |
414.57 |
3.17 |
-7.8 |
-1.3 |
0 |
|
|
318709 |
126652797 |
2 |
N2H21C28 |
A2B21C28 |
244.43 |
2.04 |
-8.01 |
-0.4 |
0 |
|
|
318710 |
126652798 |
1 |
N6H76C105 |
A6B76C105 |
448.5 |
5.37 |
-7.9 |
-0.66 |
0 |