List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
138013 |
52299821 |
1 |
O2F3N3C22H24 |
A2B3C3D22E24 |
-205.57 |
7.07 |
-8.95 |
-0.7 |
1 |
|
|
138014 |
52299822 |
1 |
O2N3C23H32 |
A2B3C23D32 |
-20.69 |
3.86 |
0.0 |
0.0 |
1 |
|
|
138015 |
52300431 |
1 |
ClN3O4C18H21 |
AB3C4D18E21 |
-20.64 |
8.06 |
0.0 |
0.0 |
-1 |
|
|
138016 |
52300481 |
1 |
ClFNSO5H12C15 |
ABCDE5F12G15 |
-192.46 |
6.54 |
0.0 |
0.0 |
1 |
|
|
138017 |
52300525 |
1 |
N2O2C20H27 |
A2B2C20D27 |
-26.56 |
3.43 |
0.0 |
0.0 |
0 |
|
|
138018 |
52300555 |
1 |
SO3N5H21C22 |
AB3C5D21E22 |
62.08 |
7.29 |
-9.07 |
-0.78 |
0 |
|
|
138019 |
52301070 |
1 |
O2N7H15C19 |
A2B7C15D19 |
82.38 |
4.49 |
-8.52 |
-0.48 |
0 |
|
|
138020 |
52301071 |
1 |
O2N7H15C19 |
A2B7C15D19 |
82.14 |
2.62 |
-8.56 |
-0.58 |
1 |
|
|
138021 |
52301179 |
1 |
N3O4C19H32 |
A3B4C19D32 |
-197.45 |
6.4 |
0.0 |
0.0 |
0 |
|
|
138022 |
52301337 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-174.69 |
5.29 |
-9.24 |
-0.1 |
1 |
|
|
138023 |
52301425 |
1 |
O3N4C20H27 |
A3B4C20D27 |
-69.8 |
4.33 |
0.0 |
0.0 |
0 |
|
|
138024 |
52301426 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-90.97 |
4.19 |
-8.43 |
0.18 |
0 |
|
|
138025 |
52301427 |
1 |
S2O3N4H22C24 |
A2B3C4D22E24 |
27.59 |
8.86 |
-9.28 |
-1.04 |
1 |
|
|
138026 |
52301428 |
1 |
O2N4C16H25 |
A2B4C16D25 |
-62.98 |
3.91 |
0.0 |
0.0 |
0 |
|
|
138027 |
52301429 |
2 |
ON2C8H12 |
AB2C8D12 |
-89.95 |
3.98 |
-8.51 |
0.11 |
1 |
|
|
138028 |
52301430 |
1 |
FO2N3C22H29 |
AB2C3D22E29 |
-94.85 |
2.03 |
0.0 |
0.0 |
0 |
|
|
138029 |
52301431 |
1 |
FO2N3C22H28 |
AB2C3D22E28 |
-107.23 |
5.12 |
-8.93 |
0.09 |
0 |
|
|
138030 |
52301432 |
1 |
S2O3N4H22C24 |
A2B3C4D22E24 |
28.13 |
5.36 |
-9.36 |
-1.34 |
0 |
|
|
138031 |
52301433 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-69.6 |
4.91 |
-8.51 |
-0.49 |
0 |
|
|
138032 |
52301434 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-70.42 |
1.98 |
-8.43 |
-0.26 |
1 |
|
|
138033 |
52301570 |
1 |
OSN2C15H25 |
ABC2D15E25 |
-25.37 |
1.81 |
0.0 |
0.0 |
1 |
|
|
138034 |
52301571 |
1 |
S2O3N4C16H25 |
A2B3C4D16E25 |
-99.68 |
18.02 |
0.0 |
0.0 |
0 |
|
|
138035 |
52301572 |
1 |
S2O3N4C16H24 |
A2B3C4D16E24 |
-101.18 |
4.55 |
-8.94 |
-1.0 |
0 |
|
|
138036 |
52301689 |
1 |
O2S2N3C19H19 |
A2B2C3D19E19 |
-16.83 |
2.57 |
-8.78 |
-0.82 |
0 |
|
|
138037 |
52301954 |
1 |
FN2O2C20H29 |
AB2C2D20E29 |
-140.86 |
4.24 |
-9.54 |
-0.01 |
0 |
|
|
138038 |
52302307 |
1 |
FN2O2C21H25 |
AB2C2D21E25 |
-91.61 |
4.77 |
-8.46 |
0.09 |
0 |
|
|
138039 |
52302767 |
1 |
BrOSN6H11C19 |
ABCD6E11F19 |
169.91 |
6.25 |
-9.27 |
-1.66 |
0 |
|
|
138040 |
52302844 |
1 |
BrON3C19H22 |
ABC3D19E22 |
9.7 |
5.01 |
-8.97 |
-0.3 |
0 |
|
|
138041 |
52302995 |
1 |
N2O2C23H28 |
A2B2C23D28 |
-68.56 |
2.66 |
-9.29 |
-0.3 |
0 |
|
|
138042 |
52302996 |
1 |
N2O2C23H28 |
A2B2C23D28 |
-70.21 |
3.83 |
-8.93 |
-0.08 |
0 |
|
|
138043 |
52303304 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-54.1 |
3.66 |
-9.14 |
-0.72 |
0 |
|
|
138044 |
52303305 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-53.89 |
2.96 |
-9.08 |
-0.68 |
-1 |
|
|
138045 |
52303325 |
1 |
O2N7H16C21 |
A2B7C16D21 |
136.45 |
8.26 |
0.0 |
0.0 |
0 |
|
|
138046 |
52303646 |
1 |
NO3C18H27 |
AB3C18D27 |
-139.94 |
4.21 |
-8.2 |
0.17 |
0 |
|
|
138047 |
52303647 |
1 |
ClSN2F3O3C16H16 |
ABC2D3E3F16G16 |
-255.93 |
4.09 |
-8.52 |
-1.1 |
0 |
|
|
138048 |
52303648 |
1 |
ClSN2F3O3C16H16 |
ABC2D3E3F16G16 |
-253.79 |
5.86 |
-8.5 |
-1.12 |
1 |
|
|
138049 |
52303649 |
1 |
O3N4C25H33 |
A3B4C25D33 |
-79.9 |
7.18 |
0.0 |
0.0 |
0 |
|
|
138050 |
52303848 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-101.51 |
3.0 |
-8.56 |
0.11 |
-2 |
|
|
138051 |
52304159 |
1 |
SF3N3O5H12C18 |
AB3C3D5E12F18 |
-179.3 |
11.24 |
-9.48 |
-3.38 |
1 |
|
|
138052 |
52304160 |
1 |
NOC17H22 |
ABC17D22 |
17.82 |
2.78 |
0.0 |
0.0 |
1 |
|
|
138053 |
52304161 |
1 |
N3O3C22H34 |
A3B3C22D34 |
-128.24 |
3.85 |
0.0 |
0.0 |
0 |
|
|
138054 |
52304666 |
1 |
SF3N3O4H16C17 |
AB3C3D4E16F17 |
-266.62 |
5.82 |
-8.58 |
-1.52 |
0 |
|
|
138055 |
52304753 |
1 |
S2N3O4H11C14 |
A2B3C4D11E14 |
-66.1 |
2.36 |
-9.31 |
-2.07 |
0 |
|
|
138056 |
52304754 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-109.13 |
3.73 |
-8.07 |
0.06 |
0 |
|
|
138057 |
52304755 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-109.09 |
3.74 |
-8.06 |
-0.02 |
0 |
|
|
138058 |
52305009 |
1 |
F2N2O5H16C17 |
A2B2C5D16E17 |
-238.62 |
5.68 |
-8.73 |
-0.84 |
0 |
|
|
138059 |
52305295 |
1 |
SN2O6C20H20 |
AB2C6D20E20 |
-157.88 |
3.17 |
-8.45 |
-1.79 |
1 |
|
|
138060 |
52305296 |
1 |
N3O3C25H28 |
A3B3C25D28 |
-32.9 |
5.66 |
0.0 |
0.0 |
0 |
|
|
138061 |
52305297 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-51.65 |
7.31 |
-8.59 |
-0.85 |
0 |
|
|
138062 |
52305341 |
1 |
NO2F3H18C19 |
AB2C3D18E19 |
-186.41 |
2.43 |
-9.55 |
-0.79 |
0 |
|
|
138063 |
52305342 |
1 |
NO2F3H18C19 |
AB2C3D18E19 |
-185.75 |
4.86 |
-9.56 |
-0.61 |
0 |
|
|
138064 |
52305343 |
1 |
F2N3O3H21C22 |
A2B3C3D21E22 |
-171.32 |
7.54 |
-9.02 |
-0.86 |
0 |
|
|
138065 |
52305344 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-71.52 |
4.5 |
-8.32 |
-0.24 |
-1 |
|
|
138066 |
52305538 |
1 |
SN3O5H14C17 |
AB3C5D14E17 |
-76.1 |
2.27 |
0.0 |
0.0 |
0 |
|
|
138067 |
52305539 |
1 |
SN3O5H15C17 |
AB3C5D15E17 |
-148.52 |
3.92 |
-9.95 |
-0.78 |
0 |
|
|
138068 |
52305540 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-126.59 |
7.18 |
-8.88 |
-0.27 |
0 |
|
|
138069 |
52306110 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-110.68 |
4.02 |
-9.11 |
-0.61 |
0 |
|
|
138070 |
52306111 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-107.82 |
5.39 |
-9.13 |
-0.13 |
0 |
|
|
138071 |
52307108 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-140.69 |
6.82 |
-9.04 |
-0.24 |
-1 |
|
|
138072 |
52307416 |
1 |
SN2O5C14H19 |
AB2C5D14E19 |
-127.92 |
19.11 |
0.0 |
0.0 |
0 |
|
|
138073 |
52307544 |
1 |
OF2N2C11H14 |
AB2C2D11E14 |
-139.1 |
5.84 |
-9.32 |
-0.29 |
0 |
|
|
138074 |
52307642 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-59.36 |
8.03 |
-8.59 |
-0.48 |
0 |
|
|
138075 |
52308002 |
1 |
N5C21H25 |
A5B21C25 |
71.42 |
2.2 |
-8.71 |
-0.16 |
0 |
|
|
138076 |
52308437 |
2 |
NOC10H15 |
ABC10D15 |
-107.4 |
3.28 |
-9.33 |
0.36 |
-1 |
|
|
138077 |
52308462 |
1 |
FSO3N6C16H16 |
ABC3D6E16F16 |
-2.2 |
0.37 |
0.0 |
0.0 |
0 |
|
|
138078 |
52308546 |
1 |
FSN5O5H14C17 |
ABC5D5E14F17 |
-74.43 |
12.52 |
-10.24 |
-1.41 |
0 |
|
|
138079 |
52309653 |
1 |
NO3C16H17 |
AB3C16D17 |
-59.74 |
7.66 |
-8.22 |
-0.51 |
0 |
|
|
138080 |
52309654 |
1 |
OSN2C14H14 |
ABC2D14E14 |
15.82 |
3.34 |
-9.0 |
-0.49 |
0 |
|
|
138081 |
52310110 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-44.67 |
3.31 |
-9.29 |
-0.56 |
0 |
|
|
138082 |
52310111 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-46.68 |
3.8 |
-9.11 |
-0.4 |
0 |
|
|
138083 |
52310419 |
1 |
SN2O4H16C18 |
AB2C4D16E18 |
-85.15 |
3.88 |
-8.86 |
-0.95 |
0 |
|
|
138084 |
52310897 |
1 |
BrNOSC16H16 |
ABCDE16F16 |
-0.57 |
3.49 |
-9.15 |
-0.31 |
0 |
|
|
138085 |
52311150 |
1 |
BrNOCl3H11C12 |
ABCD3E11F12 |
-35.22 |
4.37 |
-9.48 |
-0.75 |
0 |
|
|
138086 |
52311366 |
1 |
FNOSC16H16 |
ABCDE16F16 |
-58.27 |
5.67 |
-9.07 |
-0.63 |
0 |
|
|
138087 |
52311449 |
1 |
BrON2S2C14H17 |
ABC2D2E14F17 |
7.77 |
3.4 |
-8.96 |
-0.5 |
0 |
|
|
138088 |
52311450 |
1 |
BrON2S2C14H17 |
ABC2D2E14F17 |
6.98 |
3.5 |
-8.89 |
-0.57 |
0 |
|
|
138089 |
52311773 |
1 |
F2N2O4C21H24 |
A2B2C4D21E24 |
-240.97 |
9.78 |
-9.51 |
-0.94 |
0 |
|
|
138090 |
52311976 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-146.1 |
4.01 |
-9.46 |
-0.58 |
0 |
|
|
138091 |
52312213 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-110.1 |
2.28 |
-8.63 |
0.1 |
1 |
|
|
138092 |
52312442 |
1 |
SN3O3C21H36 |
AB3C3D21E36 |
-82.87 |
6.72 |
0.0 |
0.0 |
0 |
|
|
138093 |
52312450 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-82.59 |
3.67 |
-9.29 |
-0.54 |
1 |
|
|
138094 |
52313036 |
1 |
ClN3O3C23H25 |
AB3C3D23E25 |
-66.55 |
6.7 |
0.0 |
0.0 |
1 |
|
|
138095 |
52313709 |
1 |
ClSO3N5H19C21 |
ABC3D5E19F21 |
-2.39 |
8.52 |
0.0 |
0.0 |
1 |
|
|
138096 |
52313710 |
1 |
ClSO4N5H21C22 |
ABC4D5E21F22 |
-44.58 |
4.28 |
0.0 |
0.0 |
1 |
|
|
138097 |
52313711 |
1 |
ClSO4N5H21C22 |
ABC4D5E21F22 |
-42.83 |
0.9 |
0.0 |
0.0 |
1 |
|
|
138098 |
52313712 |
1 |
ClSO3N5H21C22 |
ABC3D5E21F22 |
-12.71 |
2.97 |
0.0 |
0.0 |
0 |
|
|
138099 |
52313971 |
1 |
NO4C16H19 |
AB4C16D19 |
-130.06 |
3.88 |
-9.04 |
-0.25 |
0 |
|
|
138100 |
52314068 |
1 |
FN2O3C15H17 |
AB2C3D15E17 |
-136.39 |
3.25 |
-9.27 |
-0.08 |
0 |
|
|
138101 |
52314864 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-123.45 |
4.08 |
-8.95 |
-0.15 |
0 |
|
|
138102 |
52314865 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-120.99 |
4.17 |
-8.78 |
-0.26 |
0 |
|
|
138103 |
52314866 |
1 |
SN3O4C21H21 |
AB3C4D21E21 |
-89.17 |
2.64 |
-9.02 |
-0.9 |
0 |
|
|
138104 |
52315199 |
1 |
ClO2N3C13H18 |
AB2C3D13E18 |
-99.69 |
0.93 |
-8.91 |
-0.26 |
0 |
|
|
138105 |
52315366 |
1 |
N2O2F3C21H23 |
A2B2C3D21E23 |
-226.95 |
8.18 |
-9.59 |
-0.66 |
0 |
|
|
138106 |
52315367 |
1 |
N2O2F3C21H23 |
A2B2C3D21E23 |
-228.06 |
4.31 |
-9.82 |
-0.59 |
0 |
|
|
138107 |
52315368 |
2 |
NOC12H13 |
ABC12D13 |
-49.31 |
3.42 |
-8.89 |
-0.52 |
0 |
|
|
138108 |
52315369 |
2 |
NOC12H13 |
ABC12D13 |
-46.3 |
5.13 |
-8.9 |
-0.53 |
0 |
|
|
138109 |
52315370 |
1 |
ClN2O3C21H25 |
AB2C3D21E25 |
-111.43 |
3.2 |
-9.11 |
-0.31 |
0 |
|
|
138110 |
52315371 |
1 |
ClN2O3C21H25 |
AB2C3D21E25 |
-111.4 |
5.62 |
-9.34 |
-0.46 |
0 |
|
|
138111 |
52315372 |
1 |
ClN2O3C21H25 |
AB2C3D21E25 |
-110.49 |
6.43 |
-9.54 |
-0.6 |
2 |
|
|
138112 |
52315539 |
1 |
O2N6C25H32 |
A2B6C25D32 |
68.51 |
23.37 |
-5.14 |
-1.42 |
0 |