List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
312611 |
126606797 |
1 |
N3O7C21H27 |
A3B7C21D27 |
-185.68 |
7.84 |
-9.38 |
-1.3 |
0 |
|
|
312612 |
126606801 |
1 |
NOC19H21 |
ABC19D21 |
1.48 |
5.98 |
-8.25 |
-0.3 |
0 |
|
|
312613 |
126606823 |
1 |
OC18H22 |
AB18C22 |
-28.91 |
2.01 |
-8.97 |
0.42 |
0 |
|
|
312614 |
126606825 |
2 |
O3C10H13 |
A3B10C13 |
-180.44 |
3.04 |
-8.46 |
0.39 |
0 |
|
|
312615 |
126606826 |
1 |
NO2C12H23 |
AB2C12D23 |
-115.88 |
3.51 |
-9.64 |
0.13 |
0 |
|
|
312616 |
126606827 |
1 |
O5C18H24 |
A5B18C24 |
-145.55 |
5.46 |
-8.75 |
0.15 |
0 |
|
|
312617 |
126606828 |
1 |
O6C19H24 |
A6B19C24 |
-190.17 |
1.55 |
-8.24 |
0.2 |
0 |
|
|
312618 |
126606829 |
1 |
NSO3C32H35 |
ABC3D32E35 |
-57.85 |
4.7 |
-8.41 |
-0.23 |
0 |
|
|
312619 |
126606831 |
1 |
ClF2N4O5C35H37 |
AB2C4D5E35F37 |
-259.42 |
2.8 |
-9.0 |
-0.94 |
0 |
|
|
312620 |
126606833 |
1 |
OC18H24 |
AB18C24 |
-21.4 |
3.06 |
-9.12 |
0.42 |
0 |
|
|
312621 |
126606834 |
2 |
OC10H14 |
AB10C14 |
-96.96 |
3.33 |
-9.64 |
-0.08 |
0 |
|
|
312622 |
126606835 |
2 |
OC17H19 |
AB17C19 |
-64.27 |
2.15 |
-9.03 |
0.2 |
0 |
|
|
312623 |
126606849 |
1 |
O5C18H28 |
A5B18C28 |
-177.41 |
4.77 |
-8.74 |
-0.28 |
0 |
|
|
312624 |
126606850 |
2 |
OH6C7 |
AB6C7 |
-37.85 |
4.06 |
-8.86 |
-0.66 |
0 |
|
|
312625 |
126606907 |
1 |
ClF2N4O4C33H33 |
AB2C4D4E33F33 |
-217.14 |
7.39 |
-8.84 |
-0.92 |
0 |
|
|
312626 |
126606918 |
1 |
ClFN5O5H31C33 |
ABC5D5E31F33 |
-164.05 |
7.09 |
-8.73 |
-1.57 |
0 |
|
|
312627 |
126606919 |
1 |
O7C31H38 |
A7B31C38 |
-269.66 |
3.68 |
-8.71 |
0.05 |
0 |
|
|
312628 |
126606927 |
1 |
ClF2N4O4C32H33 |
AB2C4D4E32F33 |
-213.37 |
3.86 |
-9.11 |
-0.91 |
0 |
|
|
312629 |
126606995 |
1 |
ClF2O2N6H29C33 |
AB2C2D6E29F33 |
-56.17 |
8.78 |
-8.74 |
-1.01 |
0 |
|
|
312630 |
126606996 |
1 |
PSC13H24 |
ABC13D24 |
-42.54 |
4.55 |
0.0 |
0.0 |
0 |
|
|
312631 |
126607002 |
1 |
ClF2N4O4H31C33 |
AB2C4D4E31F33 |
-178.43 |
4.43 |
-8.52 |
-0.91 |
0 |
|
|
312632 |
126607004 |
1 |
ClF2O2N5H30C34 |
AB2C2D5E30F34 |
-72.03 |
3.01 |
-8.53 |
-0.94 |
0 |
|
|
312633 |
126607007 |
1 |
ClFO2N6C31H32 |
ABC2D6E31F32 |
-29.95 |
6.35 |
-8.59 |
-0.54 |
0 |
|
|
312634 |
126607009 |
1 |
ClFN4O4C34H38 |
ABC4D4E34F38 |
-169.14 |
6.78 |
-8.84 |
-0.51 |
0 |
|
|
312635 |
126607052 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-30.92 |
7.07 |
-9.89 |
-0.72 |
0 |
|
|
312636 |
126607053 |
1 |
SN3O5C10H19 |
AB3C5D10E19 |
-213.18 |
2.18 |
-9.55 |
-0.7 |
0 |
|
|
312637 |
126607071 |
1 |
BrClFO2H17C22 |
ABCD2E17F22 |
-65.91 |
0.72 |
-8.91 |
-0.51 |
0 |
|
|
312638 |
126607073 |
1 |
ClFNO21C91H95 |
ABCD21E91F95 |
-760.67 |
5.17 |
-8.71 |
-0.78 |
0 |
|
|
312639 |
126607093 |
1 |
ClFO2N3H27C30 |
ABC2D3E27F30 |
-58.71 |
3.88 |
-9.11 |
-0.75 |
0 |
|
|
312640 |
126607102 |
1 |
ClO2C9H11 |
AB2C9D11 |
-85.62 |
2.28 |
-9.85 |
-0.49 |
0 |
|
|
312641 |
126607119 |
1 |
NO5C29H29 |
AB5C29D29 |
-127.99 |
5.83 |
-8.95 |
-0.89 |
0 |
|
|
312642 |
126607120 |
1 |
ClO6H31C32 |
AB6C31D32 |
-194.8 |
4.63 |
-8.78 |
-0.47 |
0 |
|
|
312643 |
126607121 |
1 |
OC15H20 |
AB15C20 |
-39.06 |
2.72 |
-9.23 |
0.38 |
0 |
|
|
312644 |
126607122 |
1 |
ClO5C29H31 |
AB5C29D31 |
-179.05 |
2.15 |
-8.73 |
-0.29 |
0 |
|
|
312645 |
126607142 |
1 |
ClF2N4O4C31H31 |
AB2C4D4E31F31 |
-214.01 |
3.53 |
-9.29 |
-1.01 |
0 |
|
|
312646 |
126607146 |
1 |
IOC9H9 |
ABC9D9 |
-8.06 |
3.65 |
-9.33 |
-1.17 |
0 |
|
|
312647 |
126607148 |
2 |
O3C15H17 |
A3B15C17 |
-214.6 |
5.64 |
-8.73 |
-0.03 |
0 |
|
|
312648 |
126607155 |
2 |
NOC10H14 |
ABC10D14 |
-71.95 |
0.59 |
-8.93 |
0.34 |
0 |
|
|
312649 |
126607164 |
1 |
ClO5C29H31 |
AB5C29D31 |
-177.95 |
3.18 |
-8.74 |
-0.35 |
0 |
|
|
312650 |
126607169 |
1 |
O6C29H32 |
A6B29C32 |
-205.93 |
1.54 |
-8.82 |
-0.05 |
0 |
|
|
312651 |
126607170 |
1 |
O8C29H32 |
A8B29C32 |
-278.02 |
4.37 |
-8.68 |
-0.16 |
0 |
|
|
312652 |
126607180 |
1 |
FSN2O4C7H17 |
ABC2D4E7F17 |
-211.48 |
1.61 |
-8.81 |
0.04 |
0 |
|
|
312653 |
126607183 |
1 |
FO3N4C22H23 |
AB3C4D22E23 |
-100.07 |
4.94 |
-8.81 |
-0.45 |
0 |
|
|
312654 |
126607184 |
1 |
FN5C26H34 |
AB5C26D34 |
-2.38 |
7.91 |
-7.98 |
-0.39 |
0 |
|
|
312655 |
126607191 |
1 |
ON3C5H13 |
AB3C5D13 |
-56.76 |
4.25 |
-9.62 |
0.95 |
0 |
|
|
312656 |
126607198 |
1 |
NC13H25 |
AB13C25 |
-26.03 |
1.55 |
-8.46 |
1.44 |
0 |
|
|
312657 |
126607208 |
1 |
NF2C11H13 |
AB2C11D13 |
-87.39 |
3.36 |
-9.87 |
-0.48 |
0 |
|
|
312658 |
126607212 |
1 |
N2C15H22 |
A2B15C22 |
15.61 |
3.91 |
-8.5 |
0.59 |
0 |
|
|
312659 |
126607215 |
1 |
ClNC17H26 |
ABC17D26 |
-28.07 |
1.41 |
-8.63 |
0.11 |
0 |
|
|
312660 |
126607216 |
1 |
NC14H21 |
AB14C21 |
9.56 |
2.39 |
-9.37 |
0.1 |
0 |