List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121037 |
50753965 |
1 |
O2N5C26H29 |
A2B5C26D29 |
-4.08 |
4.53 |
-8.8 |
-0.76 |
0 |
|
|
121038 |
50753970 |
1 |
O2N5H21C23 |
A2B5C21D23 |
25.13 |
4.45 |
-9.08 |
-0.88 |
0 |
|
|
121039 |
50753971 |
1 |
O2N5H23C24 |
A2B5C23D24 |
17.51 |
4.27 |
-8.76 |
-0.86 |
0 |
|
|
121040 |
50753972 |
1 |
O2N5C26H27 |
A2B5C26D27 |
12.52 |
3.66 |
-9.17 |
-0.83 |
0 |
|
|
121041 |
50754019 |
1 |
O3N5C25H25 |
A3B5C25D25 |
-18.74 |
3.95 |
-8.87 |
-0.72 |
0 |
|
|
121042 |
50754153 |
1 |
F2N3O3H17C23 |
A2B3C3D17E23 |
-70.02 |
8.16 |
-9.2 |
-1.06 |
0 |
|
|
121043 |
50754159 |
1 |
FN3O3H18C23 |
AB3C3D18E23 |
-32.3 |
1.69 |
-8.92 |
-1.35 |
0 |
|
|
121044 |
50754204 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-21.92 |
6.7 |
-8.81 |
-0.26 |
0 |
|
|
121045 |
50754222 |
1 |
ClN2O2F3C16H16 |
AB2C2D3E16F16 |
-216.99 |
4.91 |
-9.52 |
-0.38 |
0 |
|
|
121046 |
50754225 |
1 |
SO2N3C24H31 |
AB2C3D24E31 |
5.24 |
2.86 |
-8.68 |
-1.24 |
0 |
|
|
121047 |
50754226 |
1 |
ClN3O3C21H22 |
AB3C3D21E22 |
-18.03 |
3.62 |
-8.96 |
-0.75 |
0 |
|
|
121048 |
50754227 |
1 |
Cl2O2N3H21C22 |
A2B2C3D21E22 |
8.53 |
1.9 |
-9.11 |
-1.17 |
0 |
|
|
121049 |
50754228 |
1 |
O2N3C23H27 |
A2B3C23D27 |
3.76 |
3.61 |
-8.82 |
-0.79 |
0 |
|
|
121050 |
50754303 |
1 |
ClSF3N5H11C19 |
ABC3D5E11F19 |
-30.63 |
5.22 |
-9.31 |
-2.03 |
0 |
|
|
121051 |
50754304 |
1 |
SF3N7H12C21 |
AB3C7D12E21 |
34.72 |
4.27 |
-9.19 |
-2.07 |
0 |
|
|
121052 |
50754332 |
1 |
ClO2N3H24C25 |
AB2C3D24E25 |
-28.81 |
8.22 |
-8.57 |
-0.46 |
0 |
|
|
121053 |
50754338 |
1 |
SF2O2N7H17C23 |
AB2C2D7E17F23 |
7.69 |
5.46 |
-8.18 |
-1.98 |
0 |
|
|
121054 |
50754339 |
1 |
ON4H16C18 |
AB4C16D18 |
69.98 |
1.64 |
-8.77 |
-1.27 |
0 |
|
|
121055 |
50754340 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-68.51 |
3.97 |
-8.3 |
-0.74 |
0 |
|
|
121056 |
50754341 |
1 |
O2N3C25H29 |
A2B3C25D29 |
3.03 |
3.09 |
-8.89 |
-0.76 |
0 |
|
|
121057 |
50754342 |
3 |
NOC8H9 |
ABC8D9 |
-21.4 |
3.87 |
-8.9 |
-0.67 |
0 |
|
|
121058 |
50754343 |
1 |
N3O5C25H29 |
A3B5C25D29 |
-95.93 |
5.09 |
-8.74 |
-0.68 |
0 |
|
|
121059 |
50754362 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-65.07 |
3.63 |
-8.66 |
-0.71 |
0 |
|
|
121060 |
50754363 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-60.68 |
4.92 |
-8.68 |
-0.75 |
0 |
|
|
121061 |
50754453 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
5.0 |
5.37 |
-8.88 |
-1.03 |
0 |
|
|
121062 |
50754454 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
13.54 |
3.38 |
-9.18 |
-1.43 |
0 |
|
|
121063 |
50754455 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
8.1 |
3.6 |
-9.16 |
-1.43 |
0 |
|
|
121064 |
50754506 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
40.94 |
3.31 |
-9.2 |
-1.5 |
0 |
|
|
121065 |
50754508 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-3.25 |
5.15 |
-8.29 |
-0.72 |
0 |
|
|
121066 |
50754591 |
2 |
OSN2H7C9 |
ABC2D7E9 |
65.98 |
3.46 |
-9.07 |
-1.4 |
0 |
|
|
121067 |
50754602 |
1 |
OSN4C20H20 |
ABC4D20E20 |
78.6 |
2.74 |
-8.35 |
-0.84 |
0 |
|
|
121068 |
50754726 |
1 |
ClN3O3H16C18 |
AB3C3D16E18 |
-18.75 |
6.96 |
-9.54 |
-0.71 |
0 |
|
|
121069 |
50754773 |
1 |
SO3N5C25H25 |
AB3C5D25E25 |
-19.36 |
5.15 |
-8.82 |
-1.11 |
0 |
|
|
121070 |
50754821 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-62.09 |
6.01 |
-9.86 |
-0.51 |
0 |
|
|
121071 |
50754948 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-13.84 |
6.18 |
-9.63 |
-0.49 |
0 |
|
|
121072 |
50754997 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-15.91 |
5.56 |
-9.91 |
-0.66 |
0 |
|
|
121073 |
50754998 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
-22.07 |
5.53 |
-9.88 |
-0.64 |
0 |
|
|
121074 |
50755012 |
1 |
O3N4C18H18 |
A3B4C18D18 |
11.76 |
5.59 |
-9.7 |
-0.52 |
0 |
|
|
121075 |
50755076 |
1 |
SO2N6C18H20 |
AB2C6D18E20 |
-10.31 |
1.66 |
-8.48 |
-1.1 |
0 |
|
|
121076 |
50755084 |
1 |
ClO2N3H16C18 |
AB2C3D16E18 |
15.49 |
4.88 |
-9.78 |
-0.7 |
0 |
|
|
121077 |
50755101 |
1 |
ON3C21H25 |
AB3C21D25 |
-6.31 |
2.04 |
-8.82 |
-0.58 |
0 |
|
|
121078 |
50755102 |
1 |
SN4O4C21H22 |
AB4C4D21E22 |
-97.87 |
5.73 |
-7.89 |
-0.96 |
0 |
|
|
121079 |
50755103 |
1 |
FSO2N4H17C19 |
ABC2D4E17F19 |
-67.7 |
2.96 |
-8.01 |
-1.09 |
0 |
|
|
121080 |
50755119 |
1 |
O3N4C16H16 |
A3B4C16D16 |
13.37 |
3.22 |
-9.69 |
-0.61 |
0 |
|
|
121081 |
50755128 |
1 |
O2N3H19C20 |
A2B3C19D20 |
42.97 |
5.28 |
-9.51 |
-0.52 |
0 |
|
|
121082 |
50755266 |
1 |
FN3O3C19H22 |
AB3C3D19E22 |
-153.72 |
2.88 |
-9.39 |
-0.59 |
0 |
|
|
121083 |
50755297 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-87.64 |
4.47 |
-9.15 |
-0.76 |
0 |
|
|
121084 |
50755335 |
1 |
ON7C21H23 |
AB7C21D23 |
88.41 |
4.71 |
-8.88 |
-1.2 |
0 |
|
|
121085 |
50755364 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-119.22 |
5.68 |
-9.64 |
-0.71 |
0 |
|
|
121086 |
50755372 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-96.95 |
5.37 |
-8.62 |
-0.9 |
0 |
|
|
121087 |
50755392 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-89.35 |
5.31 |
-8.49 |
-0.91 |
0 |
|
|
121088 |
50755393 |
1 |
Cl2N3O4H17C20 |
A2B3C4D17E20 |
-118.47 |
3.95 |
-8.59 |
-0.86 |
0 |
|
|
121089 |
50755394 |
1 |
ClN3O4C18H22 |
AB3C4D18E22 |
-157.11 |
8.83 |
-9.72 |
-0.83 |
0 |
|
|
121090 |
50755492 |
1 |
ClFN3O3H17C20 |
ABC3D3E17F20 |
-131.52 |
7.67 |
-8.88 |
-1.07 |
0 |
|
|
121091 |
50755493 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
47.85 |
7.5 |
-9.09 |
-1.26 |
0 |
|
|
121092 |
50755494 |
1 |
SO2N4H18C22 |
AB2C4D18E22 |
68.55 |
7.37 |
-8.92 |
-1.52 |
0 |
|
|
121093 |
50755495 |
1 |
OSN5H13C21 |
ABC5D13E21 |
152.28 |
5.81 |
-8.89 |
-1.57 |
0 |
|
|
121094 |
50755543 |
1 |
O2S2N5H15C22 |
A2B2C5D15E22 |
114.14 |
3.36 |
-8.66 |
-1.41 |
0 |
|
|
121095 |
50755597 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-47.66 |
5.9 |
-9.02 |
-1.13 |
0 |
|
|
121096 |
50755704 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-55.88 |
0.92 |
-8.69 |
-0.66 |
0 |
|
|
121097 |
50755839 |
1 |
ClO2N4C15H17 |
AB2C4D15E17 |
-56.91 |
3.66 |
-9.47 |
-0.69 |
0 |
|
|
121098 |
50755840 |
1 |
ClO2N4C17H21 |
AB2C4D17E21 |
-64.35 |
2.69 |
-9.4 |
-0.62 |
0 |
|
|
121099 |
50755841 |
1 |
O2N5C19H19 |
A2B5C19D19 |
-8.02 |
1.61 |
-9.28 |
-0.8 |
0 |
|
|
121100 |
50755897 |
1 |
O3N5C23H23 |
A3B5C23D23 |
23.61 |
2.52 |
-8.96 |
-0.99 |
0 |
|
|
121101 |
50755907 |
1 |
ClO2N3H14C17 |
AB2C3D14E17 |
19.44 |
6.42 |
-9.85 |
-1.23 |
0 |
|
|
121102 |
50755982 |
1 |
N2O5C13H14 |
A2B5C13D14 |
-163.89 |
8.34 |
-8.62 |
-0.98 |
0 |
|
|
121103 |
50756080 |
1 |
SN3O4C25H27 |
AB3C4D25E27 |
-93.59 |
7.37 |
-8.47 |
-0.55 |
0 |
|
|
121104 |
50756081 |
1 |
SO2N3C27H33 |
AB2C3D27E33 |
-45.7 |
3.05 |
-8.5 |
-0.57 |
0 |
|
|
121105 |
50756118 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-109.04 |
3.72 |
-8.48 |
-0.55 |
0 |
|
|
121106 |
50756135 |
1 |
ClSO2N3C24H26 |
ABC2D3E24F26 |
-42.24 |
6.6 |
-8.52 |
-0.58 |
0 |
|
|
121107 |
50756136 |
1 |
SN3O3C26H31 |
AB3C3D26E31 |
-77.89 |
2.38 |
-8.47 |
-0.54 |
0 |
|
|
121108 |
50756151 |
1 |
FSO2N3C24H26 |
ABC2D3E24F26 |
-73.43 |
4.68 |
-8.67 |
-0.82 |
0 |
|
|
121109 |
50756179 |
1 |
SO2N3C26H31 |
AB2C3D26E31 |
-38.99 |
7.1 |
-8.4 |
-0.43 |
0 |
|
|
121110 |
50756282 |
1 |
SN3O3C24H35 |
AB3C3D24E35 |
-127.75 |
2.53 |
-8.43 |
-0.4 |
0 |
|
|
121111 |
50756315 |
1 |
FSO3N4C24H25 |
ABC3D4E24F25 |
-92.49 |
10.04 |
-8.88 |
-0.82 |
0 |