List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
311621 |
126595691 |
1 |
O2N3H29C44 |
A2B3C29D44 |
144.5 |
3.73 |
-7.86 |
-1.08 |
0 |
|
|
311622 |
126595694 |
1 |
N7H29C52 |
A7B29C52 |
357.66 |
6.32 |
-7.88 |
-1.51 |
0 |
|
|
311623 |
126595697 |
1 |
N7H25C46 |
A7B25C46 |
334.39 |
6.49 |
-7.91 |
-1.51 |
0 |
|
|
311624 |
126595703 |
1 |
N5H67C92 |
A5B67C92 |
373.59 |
2.02 |
-7.78 |
-0.76 |
0 |
|
|
311625 |
126595739 |
1 |
SO3N5C25H37 |
AB3C5D25E37 |
-104.6 |
9.49 |
-8.65 |
-0.36 |
0 |
|
|
311626 |
126595806 |
1 |
OSN5C27H41 |
ABC5D27E41 |
-12.97 |
8.14 |
-8.45 |
-0.35 |
0 |
|
|
311628 |
126595859 |
1 |
IO9C23H33 |
AB9C23D33 |
-385.29 |
4.79 |
-10.04 |
-1.27 |
0 |
|
|
311629 |
126595863 |
3 |
N3H23C33 |
A3B23C33 |
494.53 |
1.39 |
-7.76 |
-0.88 |
0 |
|
|
311630 |
126595869 |
2 |
FO2H7C9 |
AB2C7D9 |
-174.28 |
1.02 |
-8.97 |
-0.89 |
0 |
|
|
311631 |
126595872 |
2 |
N2O3C10H17 |
A2B3C10D17 |
-253.77 |
5.02 |
-9.59 |
-0.12 |
0 |
|
|
311632 |
126595876 |
1 |
FON2C19H27 |
ABC2D19E27 |
-73.23 |
3.25 |
-8.73 |
-0.07 |
0 |
|
|
311633 |
126595878 |
1 |
O3N7C19H21 |
A3B7C19D21 |
3.64 |
4.75 |
-8.67 |
-0.4 |
0 |
|
|
311634 |
126595885 |
2 |
N3O4C24H42 |
A3B4C24D42 |
-403.54 |
5.14 |
-8.38 |
0.28 |
0 |
|
|
311635 |
126595886 |
1 |
SN7O7C49H83 |
AB7C7D49E83 |
-322.47 |
7.21 |
-8.27 |
-1.0 |
0 |
|
|
311636 |
126595903 |
3 |
N2O3C15H26 |
A2B3C15D26 |
-435.55 |
8.89 |
-9.12 |
0.32 |
0 |
|
|
311637 |
126595912 |
1 |
NOC11H17 |
ABC11D17 |
-32.16 |
2.85 |
-7.86 |
0.65 |
0 |
|
|
311638 |
126596027 |
1 |
OSN5C20H21 |
ABC5D20E21 |
63.79 |
6.74 |
-8.36 |
-0.5 |
0 |
|
|
311639 |
126596233 |
1 |
SN3H27C41 |
AB3C27D41 |
207.01 |
6.14 |
-8.49 |
-1.09 |
0 |
|
|
311640 |
126596235 |
1 |
SN3H31C42 |
AB3C31D42 |
203.99 |
4.57 |
-8.1 |
-0.96 |
0 |
|
|
311641 |
126596618 |
1 |
NC19H41 |
AB19C41 |
-90.25 |
1.53 |
-8.72 |
3.15 |
0 |
|
|
311643 |
126596711 |
1 |
N2O8C29H36 |
A2B8C29D36 |
-321.42 |
7.4 |
-8.91 |
-0.86 |
0 |
|
|
311644 |
126596722 |
1 |
O2N3H23C38 |
A2B3C23D38 |
158.11 |
3.27 |
-8.22 |
-1.07 |
0 |
|
|
311645 |
126596729 |
1 |
SN3H29C44 |
AB3C29D44 |
224.68 |
2.69 |
-8.2 |
-0.92 |
0 |
|
|
311647 |
126596829 |
1 |
ON3H23C33 |
AB3C23D33 |
145.51 |
7.92 |
-8.53 |
-0.89 |
0 |
|
|
311648 |
126596830 |
1 |
ON3H27C43 |
AB3C27D43 |
194.37 |
2.63 |
-8.0 |
-0.97 |
0 |
|
|
311649 |
126596831 |
1 |
INOH18C30 |
ABCD18E30 |
126.39 |
2.42 |
-8.3 |
-1.11 |
0 |
|
|
311650 |
126596832 |
1 |
ON2H20C30 |
AB2C20D30 |
102.3 |
3.95 |
-8.18 |
-0.5 |
0 |
|
|
311651 |
126596833 |
1 |
ON2H24C32 |
AB2C24D32 |
178.55 |
6.17 |
-8.06 |
-0.95 |
0 |
|
|
311653 |
126596837 |
1 |
SN3H33C43 |
AB3C33D43 |
279.69 |
8.79 |
-6.9 |
-1.44 |
0 |
|
|
311654 |
126596838 |
1 |
ClO2N5H22C28 |
AB2C5D22E28 |
32.18 |
7.15 |
-8.38 |
-1.09 |
0 |
|
|
311655 |
126596839 |
1 |
PN4O10C18H23 |
AB4C10D18E23 |
-337.66 |
4.12 |
-9.46 |
-1.94 |
0 |
|
|
311656 |
126596840 |
1 |
PN4O8C18H23 |
AB4C8D18E23 |
-332.89 |
5.91 |
-9.96 |
-1.94 |
0 |
|
|
311657 |
126596841 |
1 |
ClO2N4H23C24 |
AB2C4D23E24 |
10.05 |
3.39 |
-9.24 |
-0.89 |
0 |
|
|
311658 |
126596842 |
1 |
BrNO2C9H12 |
ABC2D9E12 |
-77.62 |
2.54 |
-8.63 |
-0.51 |
0 |
|
|
311659 |
126596843 |
1 |
ON3H27C44 |
AB3C27D44 |
193.75 |
3.44 |
-8.29 |
-0.8 |
0 |
|
|
311660 |
126596844 |
1 |
ON3H21C30 |
AB3C21D30 |
102.15 |
5.57 |
-7.97 |
-0.58 |
0 |
|
|
311661 |
126596845 |
1 |
ON3H29C42 |
AB3C29D42 |
164.88 |
2.79 |
-7.87 |
-0.61 |
0 |
|
|
311662 |
126596846 |
1 |
ON2H24C30 |
AB2C24D30 |
93.96 |
1.83 |
-7.9 |
-0.39 |
0 |
|
|
311663 |
126596847 |
1 |
ON3H33C43 |
AB3C33D43 |
141.11 |
4.65 |
-7.82 |
-0.42 |
0 |
|
|
311664 |
126596849 |
1 |
ON3H29C32 |
AB3C29D32 |
84.83 |
4.51 |
-7.76 |
-0.34 |
0 |
|
|
311665 |
126596850 |
1 |
ON2H22C32 |
AB2C22D32 |
148.07 |
5.03 |
-8.32 |
-1.01 |
0 |
|
|
311666 |
126596851 |
1 |
ON2H18C31 |
AB2C18D31 |
248.78 |
3.28 |
-8.46 |
-1.04 |
0 |
|
|
311667 |
126596852 |
1 |
ON2H20C31 |
AB2C20D31 |
138.23 |
3.22 |
-8.38 |
-0.85 |
0 |
|
|
311668 |
126596853 |
1 |
ON2H20C30 |
AB2C20D30 |
102.64 |
2.98 |
-8.12 |
-0.63 |
0 |
|
|
311669 |
126596854 |
1 |
O2N3H27C44 |
A2B3C27D44 |
266.15 |
6.06 |
-8.34 |
-1.07 |
0 |
|
|
311670 |
126596855 |
1 |
NSC12H23 |
ABC12D23 |
-29.3 |
2.85 |
-8.88 |
0.48 |
0 |
|
|
311671 |
126596856 |
1 |
O2N3H25C44 |
A2B3C25D44 |
206.96 |
2.61 |
-8.57 |
-1.1 |
0 |
|
|
311672 |
126596857 |
1 |
S2N3H23C38 |
A2B3C23D38 |
217.93 |
6.55 |
-8.45 |
-1.13 |
0 |
|
|
311673 |
126596858 |
1 |
ON3H39C45 |
AB3C39D45 |
189.64 |
7.74 |
-7.77 |
-0.83 |
0 |
|
|
311674 |
126596859 |
1 |
ON3H29C44 |
AB3C29D44 |
190.45 |
3.66 |
-8.32 |
-1.01 |
0 |