List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
281000 |
103852361 |
1 |
O2F3N3C8H8 |
A2B3C3D8E8 |
-193.03 |
2.61 |
-10.58 |
-1.45 |
0 |
|
|
281001 |
103852362 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-41.58 |
7.31 |
-9.9 |
-0.95 |
0 |
|
|
281002 |
103852367 |
1 |
SO2N3C10H15 |
AB2C3D10E15 |
-41.08 |
5.84 |
-9.16 |
-1.1 |
0 |
|
|
281003 |
103852374 |
1 |
FNO3C13H18 |
ABC3D13E18 |
-184.97 |
2.27 |
-9.32 |
-0.96 |
0 |
|
|
281004 |
103852375 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-142.43 |
2.91 |
-9.84 |
-0.91 |
0 |
|
|
281005 |
103852376 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-184.74 |
5.34 |
-9.76 |
0.64 |
0 |
|
|
281006 |
103852377 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-67.3 |
5.64 |
-8.93 |
-0.93 |
0 |
|
|
281007 |
103852381 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-162.27 |
2.18 |
-10.08 |
0.64 |
0 |
|
|
281008 |
103852382 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-141.88 |
2.96 |
-9.57 |
-0.23 |
0 |
|
|
281009 |
103852384 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-128.08 |
2.58 |
-9.5 |
-0.92 |
0 |
|
|
281010 |
103852387 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-145.25 |
4.33 |
-9.98 |
-1.07 |
0 |
|
|
281011 |
103852388 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-182.96 |
6.41 |
-9.64 |
0.67 |
0 |
|
|
281012 |
103852390 |
1 |
NO4C15H23 |
AB4C15D23 |
-168.15 |
0.99 |
-9.21 |
-0.34 |
0 |
|
|
281013 |
103852397 |
1 |
NO3C14H21 |
AB3C14D21 |
-146.4 |
5.0 |
-9.33 |
-0.14 |
0 |
|
|
281014 |
103852399 |
1 |
BrN2O3C15H21 |
AB2C3D15E21 |
-137.18 |
6.32 |
-9.8 |
-1.01 |
0 |
|
|
281015 |
103852405 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-88.28 |
6.54 |
-9.96 |
-1.07 |
0 |
|
|
281016 |
103852419 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-60.02 |
7.15 |
-9.85 |
-1.53 |
0 |
|
|
281017 |
103852421 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-67.63 |
4.46 |
-9.61 |
-1.66 |
0 |
|
|
281018 |
103852423 |
1 |
FNO2C13H14 |
ABC2D13E14 |
-111.57 |
5.93 |
-9.35 |
-0.61 |
0 |
|
|
281019 |
103852426 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-128.2 |
4.95 |
-9.49 |
-0.7 |
0 |
|
|
281020 |
103852427 |
1 |
N2O4C15H26 |
A2B4C15D26 |
-224.19 |
4.14 |
-9.99 |
0.45 |
0 |
|
|
281021 |
103852434 |
1 |
NO2C11H15 |
AB2C11D15 |
-72.2 |
0.99 |
-8.88 |
0.14 |
0 |
|
|
281022 |
103852438 |
1 |
OC13H16 |
AB13C16 |
-40.09 |
4.3 |
-9.51 |
-0.47 |
0 |
|
|
281023 |
103852441 |
1 |
ClNO2C9H10 |
ABC2D9E10 |
-74.69 |
5.75 |
-9.62 |
-1.01 |
0 |
|
|
281024 |
103852442 |
1 |
BrNF2C10H12 |
ABC2D10E12 |
-80.25 |
2.45 |
-9.76 |
-0.84 |
0 |
|
|
281025 |
103852443 |
1 |
NOC13H21 |
ABC13D21 |
-53.73 |
3.21 |
-8.68 |
0.29 |
0 |
|
|
281026 |
103852445 |
1 |
SN2O4C12H14 |
AB2C4D12E14 |
-69.39 |
8.61 |
-9.15 |
-1.53 |
0 |
|
|
281027 |
103852451 |
1 |
ClOSC9H9 |
ABCD9E9 |
-28.66 |
3.53 |
-9.21 |
-0.54 |
0 |
|
|
281028 |
103852456 |
1 |
BrClNC11H15 |
ABCD11E15 |
-7.41 |
0.99 |
-9.53 |
-0.58 |
0 |
|
|
281029 |
103852462 |
1 |
NF4C13H17 |
AB4C13D17 |
-215.12 |
3.64 |
-9.76 |
-0.96 |
0 |
|
|
281030 |
103852464 |
1 |
N3C9H17 |
A3B9C17 |
1.71 |
3.76 |
-9.31 |
0.59 |
0 |
|
|
281031 |
103852469 |
1 |
NF2C13H19 |
AB2C13D19 |
-103.24 |
2.83 |
-9.35 |
-0.03 |
0 |
|
|
281032 |
103852488 |
1 |
BrClNC10H11 |
ABCD10E11 |
29.31 |
0.3 |
-9.75 |
-0.63 |
0 |
|
|
281033 |
103852489 |
1 |
BrClNC9H9 |
ABCD9E9 |
31.55 |
0.32 |
-9.76 |
-0.66 |
0 |
|
|
281034 |
103852490 |
1 |
BrClNC11H13 |
ABCD11E13 |
23.05 |
0.46 |
-9.77 |
-0.6 |
0 |
|
|
281035 |
103852491 |
1 |
BrClNC10H11 |
ABCD10E11 |
25.4 |
0.53 |
-9.77 |
-0.61 |
0 |
|
|
281036 |
103852493 |
1 |
BrClNC11H15 |
ABCD11E15 |
-8.46 |
1.04 |
-9.64 |
-0.57 |
0 |
|
|
281037 |
103852505 |
1 |
BrNF2C11H14 |
ABC2D11E14 |
-86.15 |
2.57 |
-9.64 |
-0.79 |
0 |
|
|
281038 |
103852520 |
1 |
NOBr2C9H11 |
ABC2D9E11 |
-17.88 |
2.01 |
-9.38 |
-0.56 |
0 |
|
|
281039 |
103852521 |
1 |
NBr2C11H15 |
AB2C11D15 |
1.9 |
1.4 |
-9.13 |
-0.57 |
0 |
|
|
281040 |
103852525 |
1 |
NC12H19 |
AB12C19 |
-8.42 |
2.22 |
-9.18 |
0.43 |
0 |
|
|
281041 |
103852528 |
1 |
NC13H19 |
AB13C19 |
-6.17 |
2.56 |
-9.07 |
0.51 |
0 |
|
|
281042 |
103852550 |
1 |
FNC13H18 |
ABC13D18 |
-53.14 |
2.33 |
-9.15 |
0.15 |
0 |
|
|
281043 |
103852558 |
1 |
ClNC12H16 |
ABC12D16 |
-11.12 |
2.22 |
-9.19 |
-0.01 |
0 |
|
|
281044 |
103852559 |
1 |
ON2C11H16 |
AB2C11D16 |
-19.61 |
5.16 |
-9.01 |
-0.12 |
0 |
|
|
281045 |
103852569 |
1 |
BrFNC11H13 |
ABCD11E13 |
-31.91 |
4.37 |
-9.45 |
-0.35 |
0 |
|
|
281046 |
103852579 |
1 |
FO2C12H13 |
AB2C12D13 |
-113.99 |
3.2 |
-8.98 |
-0.06 |
0 |
|
|
281047 |
103852580 |
1 |
FO2C13H15 |
AB2C13D15 |
-116.81 |
4.27 |
-9.06 |
-0.17 |
0 |
|
|
281048 |
103852586 |
1 |
BrFOH10C11 |
ABCD10E11 |
-67.93 |
3.13 |
-9.78 |
-0.43 |
0 |
|
|
281049 |
103852597 |
1 |
ClO2N3C17H24 |
AB2C3D17E24 |
-101.2 |
5.55 |
-9.2 |
-0.33 |
0 |
|
|
281050 |
103852605 |
1 |
ClO2N3C16H24 |
AB2C3D16E24 |
-104.35 |
7.37 |
-8.57 |
-0.26 |
0 |
|
|
281051 |
103852606 |
1 |
ClO2N3C16H24 |
AB2C3D16E24 |
-109.21 |
4.91 |
-8.66 |
-0.33 |
0 |
|
|
281052 |
103852608 |
1 |
ClO2N3C17H26 |
AB2C3D17E26 |
-110.71 |
5.03 |
-8.7 |
-0.36 |
0 |
|
|
281053 |
103852618 |
1 |
BrNOC11H14 |
ABCD11E14 |
-45.87 |
4.25 |
-9.51 |
-0.51 |
0 |
|
|
281054 |
103852627 |
1 |
BrNOH16C17 |
ABCD16E17 |
-3.62 |
5.34 |
-8.55 |
-0.51 |
0 |
|
|
281055 |
103852638 |
1 |
NO4C13H23 |
AB4C13D23 |
-199.0 |
8.05 |
-10.36 |
0.51 |
0 |
|
|
281056 |
103852645 |
1 |
BrNOC16H16 |
ABCD16E16 |
-2.18 |
4.57 |
-9.25 |
-0.45 |
0 |
|
|
281057 |
103852647 |
1 |
BrNO2C13H16 |
ABC2D13E16 |
-79.06 |
5.47 |
-9.41 |
-0.63 |
0 |
|
|
281058 |
103852648 |
1 |
BrON2C15H21 |
ABC2D15E21 |
-34.05 |
3.14 |
-8.72 |
-0.44 |
0 |
|
|
281059 |
103852658 |
1 |
BrNOC16H16 |
ABCD16E16 |
-20.66 |
3.32 |
-8.41 |
-0.67 |
0 |
|
|
281060 |
103852665 |
1 |
BrNO2H14C15 |
ABC2D14E15 |
-41.41 |
5.44 |
-8.24 |
-0.7 |
0 |
|
|
281061 |
103852670 |
1 |
BrINOH11C14 |
ABCDE11F14 |
14.14 |
3.36 |
-8.89 |
-0.96 |
0 |
|
|
281062 |
103852690 |
1 |
BrON2H13C14 |
ABC2D13E14 |
5.37 |
4.15 |
-9.62 |
-0.7 |
0 |
|
|
281063 |
103852700 |
1 |
BrNOC13H18 |
ABCD13E18 |
-52.64 |
4.26 |
-9.38 |
-0.51 |
0 |
|
|
281064 |
103852706 |
1 |
BrNO3C14H20 |
ABC3D14E20 |
-112.79 |
3.52 |
-9.1 |
-0.56 |
0 |
|
|
281065 |
103852709 |
1 |
BrN2O3C15H19 |
AB2C3D15E19 |
-119.77 |
2.41 |
-9.33 |
-0.57 |
0 |
|
|
281066 |
103852711 |
1 |
BrNOC18H20 |
ABCD18E20 |
-22.61 |
4.4 |
-9.09 |
-0.58 |
0 |
|
|
281067 |
103852720 |
1 |
BrNO2C16H16 |
ABC2D16E16 |
-45.78 |
5.05 |
-8.85 |
-0.54 |
0 |
|
|
281068 |
103852727 |
1 |
BrNO2C16H16 |
ABC2D16E16 |
-50.01 |
4.18 |
-8.22 |
-0.59 |
0 |
|
|
281069 |
103852728 |
1 |
BrNO3C16H20 |
ABC3D16E20 |
-131.12 |
5.56 |
-9.21 |
-0.46 |
0 |
|
|
281070 |
103852731 |
1 |
BrFNOH13C15 |
ABCDE13F15 |
-59.03 |
5.65 |
-8.74 |
-0.81 |
0 |
|
|
281071 |
103852733 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-96.71 |
4.04 |
-9.56 |
-0.61 |
0 |
|
|
281072 |
103852764 |
1 |
BrNOC15H20 |
ABCD15E20 |
-57.16 |
4.26 |
-9.38 |
-0.49 |
0 |
|
|
281073 |
103852779 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-38.96 |
6.03 |
-8.78 |
-0.36 |
0 |
|
|
281074 |
103852780 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-42.54 |
5.22 |
-8.98 |
-0.46 |
0 |
|
|
281075 |
103852792 |
1 |
ON2F3C14H15 |
AB2C3D14E15 |
-171.87 |
3.07 |
-9.59 |
-0.15 |
0 |
|
|
281076 |
103852794 |
1 |
BrON3C16H20 |
ABC3D16E20 |
-9.3 |
5.05 |
-9.08 |
-0.72 |
0 |
|
|
281077 |
103852799 |
1 |
BrFNOH15C16 |
ABCDE15F16 |
-49.81 |
4.07 |
-9.37 |
-0.49 |
0 |
|
|
281078 |
103852803 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-138.0 |
2.39 |
-9.62 |
-0.62 |
0 |
|
|
281079 |
103852805 |
1 |
ON3C10H21 |
AB3C10D21 |
-24.54 |
2.13 |
-8.96 |
1.0 |
0 |
|
|
281080 |
103852820 |
1 |
NOC15H23 |
ABC15D23 |
-18.89 |
0.64 |
-8.88 |
0.32 |
0 |
|
|
281081 |
103852821 |
1 |
NO2C15H23 |
AB2C15D23 |
-63.62 |
2.44 |
-9.31 |
0.37 |
0 |
|
|
281082 |
103852828 |
1 |
NF2O2C15H21 |
AB2C2D15E21 |
-163.04 |
4.21 |
-9.15 |
-0.1 |
0 |
|
|
281083 |
103852835 |
1 |
N3O3C11H21 |
A3B3C11D21 |
-131.51 |
3.22 |
-9.75 |
0.33 |
0 |
|
|
281084 |
103852836 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-96.22 |
4.32 |
-9.16 |
1.09 |
0 |
|
|
281085 |
103852848 |
1 |
N3O3C10H19 |
A3B3C10D19 |
-131.48 |
3.95 |
-9.81 |
0.22 |
0 |
|
|
281086 |
103852851 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-18.88 |
5.21 |
-9.16 |
-1.29 |
0 |
|
|
281087 |
103852854 |
1 |
ClNOC14H20 |
ABCD14E20 |
-25.13 |
2.26 |
-9.07 |
-0.12 |
0 |
|
|
281088 |
103852859 |
2 |
NOC6H12 |
ABC6D12 |
-95.21 |
4.66 |
-9.43 |
1.04 |
0 |
|
|
281089 |
103852875 |
1 |
BrNOC15H20 |
ABCD15E20 |
-12.73 |
2.07 |
-9.22 |
-0.17 |
0 |
|
|
281090 |
103852894 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-39.5 |
4.66 |
-9.38 |
-0.65 |
0 |
|
|
281091 |
103852920 |
1 |
BrN2O2C13H17 |
AB2C2D13E17 |
-87.35 |
1.76 |
-9.5 |
-0.53 |
0 |
|
|
281092 |
103852921 |
1 |
BrNOC13H16 |
ABCD13E16 |
-23.73 |
4.02 |
-9.51 |
-0.52 |
0 |
|
|
281093 |
103852926 |
1 |
BrON2H13C16 |
ABC2D13E16 |
23.45 |
7.54 |
-8.89 |
-0.86 |
0 |
|
|
281094 |
103852936 |
1 |
BrON3H12C15 |
ABC3D12E15 |
49.21 |
4.54 |
-8.41 |
-0.76 |
0 |
|
|
281095 |
103852949 |
1 |
BrNO2H14C15 |
ABC2D14E15 |
-5.7 |
4.36 |
-9.29 |
-0.77 |
0 |
|
|
281096 |
103852952 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-82.24 |
4.86 |
-9.64 |
-0.83 |
0 |
|
|
281097 |
103852953 |
1 |
BrN2O2C13H17 |
AB2C2D13E17 |
-86.92 |
4.27 |
-9.6 |
-0.8 |
0 |
|
|
281098 |
103904167 |
1 |
NO2C17H23 |
AB2C17D23 |
-28.81 |
2.03 |
-8.56 |
0.21 |
0 |
|
|
281099 |
103905689 |
1 |
NO2C13H23 |
AB2C13D23 |
-58.59 |
3.35 |
-9.23 |
1.86 |
0 |