List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145764 |
53589549 |
2 |
N3C8H9 |
A3B8C9 |
109.2 |
3.84 |
-8.66 |
-0.77 |
0 |
|
|
145765 |
53590218 |
1 |
BrN2S2O5C16H17 |
AB2C2D5E16F17 |
-151.99 |
9.13 |
-8.71 |
-1.5 |
0 |
|
|
145766 |
53590378 |
1 |
NO4C19H29 |
AB4C19D29 |
-171.64 |
4.73 |
-8.63 |
0.26 |
0 |
|
|
145767 |
53590682 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-217.53 |
4.41 |
-8.8 |
-0.01 |
0 |
|
|
145768 |
53590683 |
1 |
O3N5C17H27 |
A3B5C17D27 |
-95.74 |
2.76 |
-9.36 |
-0.16 |
0 |
|
|
145769 |
53590749 |
1 |
ClSN2O2C16H23 |
ABC2D2E16F23 |
-82.31 |
6.46 |
-9.17 |
-0.17 |
0 |
|
|
145770 |
53590750 |
3 |
NC4H7 |
AB4C7 |
28.29 |
1.66 |
-9.05 |
0.88 |
0 |
|
|
145771 |
53590751 |
1 |
SO3N4C13H24 |
AB3C4D13E24 |
-70.05 |
5.99 |
-8.8 |
-0.19 |
0 |
|
|
145772 |
53590855 |
1 |
FON3C18H22 |
ABC3D18E22 |
-37.13 |
6.87 |
-9.06 |
-0.31 |
0 |
|
|
145773 |
53591055 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-83.54 |
5.09 |
-9.27 |
0.12 |
0 |
|
|
145774 |
53591155 |
1 |
FN5C16H20 |
AB5C16D20 |
13.97 |
5.19 |
-8.88 |
-0.12 |
0 |
|
|
145775 |
53591156 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-104.41 |
4.43 |
-8.55 |
-0.21 |
0 |
|
|
145776 |
53591505 |
1 |
ON5C20H23 |
AB5C20D23 |
27.75 |
5.66 |
-8.61 |
-0.35 |
0 |
|
|
145777 |
53591506 |
1 |
ON4C17H20 |
AB4C17D20 |
19.21 |
6.17 |
-8.65 |
-0.22 |
0 |
|
|
145778 |
53591735 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-43.37 |
5.51 |
-8.96 |
-0.34 |
0 |
|
|
145779 |
53591835 |
1 |
SN6C15H18 |
AB6C15D18 |
118.91 |
5.15 |
-9.09 |
-1.39 |
0 |
|
|
145780 |
53592047 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-97.77 |
2.88 |
-8.97 |
-0.05 |
0 |
|
|
145781 |
53592389 |
1 |
ClFO2N3C16H21 |
ABC2D3E16F21 |
-146.47 |
5.3 |
-9.65 |
-0.48 |
0 |
|
|
145782 |
53592390 |
1 |
OF2N3C17H17 |
AB2C3D17E17 |
-94.81 |
7.63 |
-8.72 |
-0.51 |
0 |
|
|
145783 |
53592391 |
2 |
NOSH6C8 |
ABCD6E8 |
5.56 |
3.0 |
-9.21 |
-1.41 |
0 |
|
|
145784 |
53592392 |
1 |
FO2N5C17H22 |
AB2C5D17E22 |
-88.19 |
3.85 |
-8.98 |
-0.4 |
0 |
|
|
145785 |
53592681 |
2 |
ON2C8H17 |
AB2C8D17 |
-133.01 |
3.56 |
-8.91 |
0.94 |
0 |
|
|
145786 |
53592749 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-58.98 |
4.29 |
-8.96 |
-0.35 |
0 |
|
|
145787 |
53592977 |
1 |
ON3F4H15C16 |
AB3C4D15E16 |
-195.25 |
6.88 |
-9.48 |
-1.35 |
0 |
|
|
145788 |
53592978 |
1 |
ON5C19H21 |
AB5C19D21 |
44.58 |
5.87 |
-8.73 |
-0.3 |
0 |
|
|
145789 |
53593061 |
2 |
ON2C7H13 |
AB2C7D13 |
-107.98 |
3.93 |
-8.67 |
0.3 |
0 |
|
|
145790 |
53593140 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-39.58 |
9.0 |
-8.61 |
0.16 |
0 |
|
|
145791 |
53593141 |
1 |
N2S3O4C10H10 |
A2B3C4D10E10 |
-103.83 |
6.61 |
-8.86 |
-1.56 |
0 |
|
|
145792 |
53593491 |
1 |
ON3C18H25 |
AB3C18D25 |
-0.42 |
2.15 |
-8.94 |
0.06 |
0 |
|
|
145793 |
53593527 |
1 |
NSO6C15H23 |
ABC6D15E23 |
-243.26 |
6.23 |
-8.86 |
-0.49 |
0 |
|
|
145794 |
53593721 |
1 |
FSN2O3C17H17 |
ABC2D3E17F17 |
-101.64 |
10.8 |
-9.36 |
-0.78 |
0 |
|
|
145795 |
53593735 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-127.76 |
8.23 |
-9.19 |
-0.48 |
0 |
|
|
145796 |
53593983 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-161.51 |
5.21 |
-9.18 |
-0.56 |
0 |
|
|
145797 |
53594016 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-120.36 |
3.28 |
-8.93 |
0.15 |
0 |
|
|
145798 |
53594799 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-132.39 |
4.32 |
-8.52 |
-0.76 |
0 |
|
|
145799 |
53594881 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-53.07 |
2.33 |
-8.86 |
-0.92 |
0 |
|
|
145800 |
53594882 |
1 |
O2N5H13C15 |
A2B5C13D15 |
96.59 |
8.59 |
-8.6 |
-1.08 |
0 |
|
|
145801 |
53595210 |
1 |
SN6C16H18 |
AB6C16D18 |
110.78 |
4.23 |
-8.64 |
-0.74 |
0 |
|
|
145802 |
53595375 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-37.07 |
9.84 |
-9.16 |
-1.05 |
0 |
|
|
145803 |
53595800 |
1 |
ON4C17H20 |
AB4C17D20 |
25.18 |
5.22 |
-9.28 |
-0.4 |
0 |
|
|
145804 |
53596807 |
1 |
ON4C20H30 |
AB4C20D30 |
-26.56 |
4.3 |
-8.05 |
0.12 |
0 |
|
|
145805 |
53596808 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-50.28 |
4.15 |
-9.04 |
-0.49 |
0 |
|
|
145806 |
53596888 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-179.45 |
4.47 |
-9.14 |
-0.56 |
0 |
|
|
145807 |
53597429 |
1 |
ClSO2N3C15H18 |
ABC2D3E15F18 |
-29.93 |
6.84 |
-9.35 |
-0.11 |
0 |
|
|
145808 |
53597430 |
1 |
O2F3N5C14H16 |
A2B3C5D14E16 |
-155.39 |
0.98 |
-8.72 |
-0.23 |
0 |
|
|
145809 |
53597431 |
1 |
OSN4C17H18 |
ABC4D17E18 |
28.18 |
4.2 |
-8.06 |
-1.18 |
0 |
|
|
145810 |
53597432 |
1 |
N3O4C18H19 |
A3B4C18D19 |
-68.78 |
4.22 |
-9.43 |
-1.24 |
0 |
|
|
145811 |
53598233 |
1 |
NSO4C17H25 |
ABC4D17E25 |
-161.97 |
4.33 |
-9.7 |
-0.64 |
0 |
|
|
145812 |
53598234 |
1 |
N2O6C15H18 |
A2B6C15D18 |
-145.3 |
7.64 |
-9.66 |
-1.56 |
0 |
|
|
145813 |
53598235 |
2 |
ON2C8H13 |
AB2C8D13 |
-47.48 |
7.44 |
-8.81 |
0.41 |
0 |
|
|
145814 |
53598236 |
1 |
OF3N5C15H20 |
AB3C5D15E20 |
-166.61 |
5.5 |
-8.82 |
-0.55 |
0 |
|
|
145815 |
53598237 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-40.91 |
7.78 |
-8.96 |
-0.09 |
0 |
|
|
145816 |
53598238 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-119.44 |
2.44 |
-9.02 |
0.45 |
0 |
|
|
145817 |
53598239 |
1 |
FN2O4C13H15 |
AB2C4D13E15 |
-197.96 |
8.6 |
-9.52 |
-0.49 |
0 |
|
|
145818 |
53598240 |
2 |
ON2C9H12 |
AB2C9D12 |
-60.67 |
5.68 |
-8.87 |
-0.53 |
0 |
|
|
145819 |
53598284 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
22.37 |
7.01 |
-8.42 |
-0.68 |
0 |
|
|
145820 |
53598315 |
1 |
FSO2N3C16H16 |
ABC2D3E16F16 |
-80.69 |
2.01 |
-8.94 |
-0.75 |
0 |
|
|
145821 |
53598329 |
1 |
FO2N3C16H24 |
AB2C3D16E24 |
-129.33 |
5.56 |
-8.78 |
-0.05 |
0 |
|
|
145822 |
53598330 |
1 |
ClON4H11C13 |
ABC4D11E13 |
84.92 |
4.57 |
-9.9 |
-0.98 |
0 |
|
|
145823 |
53598388 |
1 |
N3O5C16H23 |
A3B5C16D23 |
-185.41 |
3.1 |
-8.14 |
0.04 |
0 |
|
|
145824 |
53598468 |
1 |
O2N3C19H19 |
A2B3C19D19 |
-14.11 |
3.54 |
-9.32 |
-0.32 |
0 |
|
|
145825 |
53598469 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-76.47 |
4.08 |
-8.67 |
-0.23 |
0 |
|
|
145826 |
53598536 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-119.36 |
5.49 |
-9.35 |
-0.03 |
0 |
|
|
145827 |
53598948 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-156.43 |
2.95 |
-8.86 |
0.04 |
0 |
|
|
145828 |
53598949 |
1 |
SN3O3C16H23 |
AB3C3D16E23 |
-92.96 |
6.72 |
-9.34 |
-0.77 |
0 |
|
|
145829 |
53598950 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-110.19 |
3.14 |
-9.13 |
-0.85 |
0 |
|
|
145830 |
53599559 |
1 |
ON4C18H20 |
AB4C18D20 |
20.42 |
2.42 |
-8.77 |
-0.63 |
0 |
|
|
145831 |
53599604 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-62.48 |
2.89 |
-8.97 |
-0.32 |
0 |
|
|
145832 |
53600034 |
1 |
ClOS2N5C12H14 |
ABC2D5E12F14 |
43.52 |
5.8 |
-8.62 |
-1.23 |
0 |
|
|
145833 |
53600174 |
1 |
NSF3O4C12H16 |
ABC3D4E12F16 |
-307.41 |
3.27 |
-8.52 |
-0.06 |
0 |
|
|
145834 |
53600238 |
1 |
SO3N5C15H17 |
AB3C5D15E17 |
42.52 |
4.47 |
-8.82 |
-1.11 |
0 |
|
|
145835 |
53600738 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-1.36 |
4.67 |
-9.14 |
-0.73 |
0 |
|
|
145836 |
53600796 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-30.45 |
3.19 |
-8.8 |
-0.77 |
0 |
|
|
145837 |
53600797 |
1 |
ON4C15H26 |
AB4C15D26 |
-2.49 |
7.07 |
-9.01 |
1.1 |
0 |
|
|
145838 |
53600798 |
1 |
SN3O3C13H21 |
AB3C3D13E21 |
-104.41 |
7.81 |
-9.67 |
0.46 |
0 |
|
|
145839 |
53600799 |
1 |
OSN6C16H22 |
ABC6D16E22 |
53.95 |
4.85 |
-8.85 |
-0.66 |
0 |
|
|
145840 |
53600800 |
1 |
O2N5C17H31 |
A2B5C17D31 |
-66.94 |
5.28 |
-8.79 |
0.59 |
0 |
|
|
145841 |
53600801 |
1 |
ON5C19H27 |
AB5C19D27 |
8.07 |
6.58 |
-8.63 |
-0.48 |
0 |
|
|
145842 |
53600851 |
1 |
ClSN3O4H10C12 |
ABC3D4E10F12 |
-25.96 |
1.25 |
-9.28 |
-2.19 |
0 |
|
|
145843 |
53600852 |
1 |
ON5C14H17 |
AB5C14D17 |
54.49 |
7.76 |
-9.08 |
-0.95 |
0 |
|
|
145844 |
53601026 |
1 |
O2N3H17C20 |
A2B3C17D20 |
0.08 |
3.33 |
-9.08 |
-1.11 |
0 |
|
|
145845 |
53601332 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-88.24 |
5.23 |
-8.55 |
-0.31 |
0 |
|
|
145846 |
53601715 |
1 |
FON3C17H24 |
ABC3D17E24 |
-49.47 |
1.25 |
-8.89 |
-0.99 |
0 |
|
|
145847 |
53601753 |
1 |
FO2N4C18H23 |
AB2C4D18E23 |
-80.81 |
2.84 |
-8.85 |
-0.11 |
0 |
|
|
145848 |
53601801 |
1 |
N2O2F3C17H25 |
A2B2C3D17E25 |
-228.18 |
5.44 |
-9.0 |
-0.35 |
0 |
|
|
145849 |
53601816 |
1 |
SO2N5C15H17 |
AB2C5D15E17 |
17.53 |
2.7 |
-8.71 |
-0.77 |
0 |
|
|
145850 |
53602124 |
1 |
SN3O3C15H23 |
AB3C3D15E23 |
-117.11 |
6.38 |
-9.19 |
0.0 |
0 |
|
|
145851 |
53602241 |
1 |
ClSN2O3C14H15 |
ABC2D3E14F15 |
-90.62 |
4.34 |
-9.5 |
-0.58 |
0 |
|
|
145852 |
53602242 |
1 |
FNSO3C14H14 |
ABCD3E14F14 |
-146.72 |
4.89 |
-9.04 |
-1.36 |
0 |
|
|
145853 |
53602243 |
1 |
ON6C16H16 |
AB6C16D16 |
71.57 |
2.48 |
-8.94 |
-0.72 |
0 |
|
|
145854 |
53602529 |
1 |
FON6C17H21 |
ABC6D17E21 |
12.56 |
7.55 |
-8.68 |
-1.24 |
0 |
|
|
145855 |
53602872 |
1 |
ClO2N4H15C17 |
AB2C4D15E17 |
11.15 |
6.21 |
-9.06 |
-0.66 |
0 |
|
|
145856 |
53602902 |
1 |
ON5C18H21 |
AB5C18D21 |
83.35 |
2.54 |
-9.13 |
-0.35 |
0 |
|
|
145857 |
53603634 |
1 |
SO2N4C17H22 |
AB2C4D17E22 |
-43.59 |
3.22 |
-8.86 |
-0.56 |
0 |
|
|
145858 |
53603635 |
1 |
ClN3O3H14C16 |
AB3C3D14E16 |
-52.96 |
4.75 |
-9.77 |
-0.56 |
0 |
|
|
145859 |
53604065 |
1 |
ON6C16H20 |
AB6C16D20 |
50.24 |
2.39 |
-9.12 |
-0.57 |
0 |
|
|
145860 |
53604173 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-70.33 |
5.24 |
-9.54 |
0.64 |
0 |
|
|
145861 |
53604174 |
1 |
FN2O2C20H25 |
AB2C2D20E25 |
-86.1 |
3.2 |
-8.53 |
-0.34 |
0 |
|
|
145862 |
53604175 |
1 |
SO2N5C12H21 |
AB2C5D12E21 |
-31.66 |
6.39 |
-9.17 |
-0.41 |
0 |
|
|
145863 |
53604497 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-50.3 |
5.91 |
-8.53 |
-0.59 |
0 |