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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
163034 |
57581438 |
1 |
N3O4C28H33 |
A3B4C28D33 |
-110.0 |
4.68 |
-8.37 |
-0.64 |
0 |
|
|
163036 |
57581441 |
1 |
SN2O3H22C26 |
AB2C3D22E26 |
-23.72 |
6.05 |
-8.7 |
-1.0 |
0 |
|
|
163037 |
57581442 |
1 |
N2O3H24C27 |
A2B3C24D27 |
-29.65 |
6.99 |
-8.87 |
-0.67 |
0 |
|
|
163038 |
57581448 |
1 |
N2O5H24C30 |
A2B5C24D30 |
-104.12 |
4.53 |
-9.13 |
-0.99 |
0 |
|
|
163040 |
57581456 |
1 |
NO3C15H15 |
AB3C15D15 |
-71.75 |
6.03 |
-8.66 |
-0.47 |
0 |
|
|
163041 |
57581457 |
1 |
SN2O5H28C30 |
AB2C5D28E30 |
-107.83 |
4.31 |
-9.11 |
-0.79 |
0 |
|
|
163042 |
57581458 |
1 |
N2O5C30H30 |
A2B5C30D30 |
-109.38 |
6.0 |
-8.58 |
-0.83 |
0 |
|
|
163043 |
57581460 |
1 |
O4C15H20 |
A4B15C20 |
-170.37 |
6.13 |
-9.15 |
-0.58 |
0 |
|
|
163044 |
57581465 |
1 |
N2O6C35H36 |
A2B6C35D36 |
-169.58 |
2.22 |
-8.54 |
-0.66 |
0 |
|
|
163046 |
57581472 |
1 |
FON4H23C26 |
ABC4D23E26 |
32.23 |
6.74 |
-8.85 |
-1.13 |
0 |
|
|
163047 |
57581473 |
1 |
ClN4C13H15 |
AB4C13D15 |
61.65 |
5.92 |
-8.72 |
-1.24 |
0 |
|
|
163048 |
57581478 |
1 |
ON4H26C27 |
AB4C26D27 |
73.23 |
2.79 |
-8.64 |
-1.02 |
0 |
|
|
163052 |
57581493 |
1 |
FON4H23C26 |
ABC4D23E26 |
33.37 |
2.58 |
-9.02 |
-1.32 |
0 |
|
|
163053 |
57581495 |
1 |
OSN5H21C23 |
ABC5D21E23 |
95.93 |
2.64 |
-8.8 |
-1.06 |
0 |
|
|
163054 |
57581500 |
1 |
ClON4H19C20 |
ABC4D19E20 |
49.04 |
3.14 |
-8.88 |
-1.3 |
0 |
|
|
163055 |
57581502 |
1 |
OCl2N4H22C26 |
AB2C4D22E26 |
63.43 |
2.1 |
-8.88 |
-1.29 |
0 |
|
|
163056 |
57587960 |
1 |
ClNSO2C7H8 |
ABCD2E7F8 |
-66.56 |
5.6 |
-10.23 |
-1.22 |
0 |
|
|
163057 |
57588014 |
1 |
Cl2N2O3C28H28 |
A2B2C3D28E28 |
-79.37 |
6.44 |
-9.32 |
-0.23 |
0 |
|
|
163058 |
57588015 |
1 |
Cl2O2N3H25C26 |
A2B2C3D25E26 |
-19.81 |
3.74 |
-9.11 |
-0.42 |
0 |
|
|
163059 |
57588018 |
1 |
ClON2C15H17 |
ABC2D15E17 |
-6.54 |
2.41 |
-9.63 |
-0.4 |
0 |
|
|
163060 |
57588019 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
-11.68 |
5.38 |
-8.97 |
-0.46 |
0 |
|
|
163061 |
57588020 |
1 |
ClN2O6C27H29 |
AB2C6D27E29 |
-199.32 |
8.44 |
-9.52 |
-0.46 |
0 |
|
|
163062 |
57588021 |
1 |
N3O4C27H33 |
A3B4C27D33 |
-134.65 |
4.34 |
-9.1 |
-0.05 |
0 |
|
|
163064 |
57588024 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-73.31 |
4.69 |
-9.34 |
-0.15 |
0 |
|
|
163065 |
57588026 |
1 |
ClN2O4C24H27 |
AB2C4D24E27 |
-145.12 |
5.54 |
-9.37 |
-0.23 |
0 |
|
|
163066 |
57588028 |
1 |
ClN2O2C17H19 |
AB2C2D17E19 |
-54.12 |
3.59 |
-8.65 |
-0.07 |
0 |
|
|
163068 |
57588032 |
2 |
NO2C10H14 |
AB2C10D14 |
-189.18 |
2.98 |
-9.26 |
-0.05 |
0 |
|
|
163069 |
57588034 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-192.45 |
4.99 |
-9.4 |
-0.1 |
0 |
|
|
163070 |
57588035 |
1 |
ClN3O4C31H40 |
AB3C4D31E40 |
-174.59 |
4.58 |
-9.33 |
-0.22 |
0 |
|
|
163071 |
57588036 |
1 |
ClON2C14H15 |
ABC2D14E15 |
-1.8 |
2.29 |
-9.25 |
-0.34 |
0 |
|
|
163072 |
57588037 |
1 |
ClO2N3C26H26 |
AB2C3D26E26 |
-15.15 |
7.64 |
-9.41 |
-0.24 |
0 |
|
|
163074 |
57588040 |
1 |
ClO2N3C26H26 |
AB2C3D26E26 |
-14.62 |
7.14 |
-9.37 |
-0.24 |
0 |
|
|
163075 |
57588041 |
2 |
NOC8H11 |
ABC8D11 |
-79.23 |
4.95 |
-9.3 |
-0.13 |
0 |
|
|
163076 |
57588042 |
1 |
ClN2O6C26H27 |
AB2C6D26E27 |
-197.19 |
2.24 |
-9.52 |
-0.86 |
0 |
|
|
163078 |
57588044 |
1 |
ClN2C16H19 |
AB2C16D19 |
36.53 |
2.79 |
-8.99 |
-0.09 |
0 |
|
|
163079 |
57588045 |
1 |
ClO2N4C33H39 |
AB2C4D33E39 |
-26.79 |
5.84 |
-8.17 |
-0.17 |
0 |
|
|
163080 |
57636261 |
1 |
ON3C18H29 |
AB3C18D29 |
-56.1 |
5.1 |
-8.14 |
0.17 |
0 |
|
|
163082 |
57636348 |
1 |
FN2O2C25H25 |
AB2C2D25E25 |
-43.88 |
2.58 |
-8.11 |
-0.5 |
0 |
|
|
163083 |
57636481 |
1 |
SCl2O2N3H13C19 |
AB2C2D3E13F19 |
13.84 |
2.73 |
-8.76 |
-1.17 |
0 |
|
|
163084 |
57636523 |
1 |
OF4N5H15C21 |
AB4C5D15E21 |
-139.41 |
4.97 |
-8.48 |
-0.74 |
0 |
|
|
163085 |
57636535 |
1 |
N4O7C33H44 |
A4B7C33D44 |
-311.18 |
6.49 |
-8.77 |
-0.33 |
0 |
|
|
163086 |
57636793 |
1 |
O2F3N4H17C22 |
A2B3C4D17E22 |
-116.72 |
3.77 |
-8.52 |
-0.74 |
0 |
|
|
163087 |
57637094 |
1 |
O2N3C6H9 |
A2B3C6D9 |
-47.93 |
2.93 |
-9.79 |
-0.22 |
0 |
|
|
163089 |
57638341 |
1 |
FSN6C20H21 |
ABC6D20E21 |
79.56 |
7.6 |
-8.51 |
-0.99 |
0 |
|
|
163090 |
57638446 |
1 |
NO3C15H21 |
AB3C15D21 |
-116.58 |
5.17 |
-8.3 |
0.27 |
0 |
|
|
163091 |
57638447 |
1 |
N2O3C11H12 |
A2B3C11D12 |
-78.57 |
2.84 |
-9.89 |
-1.38 |
0 |
|
|
163092 |
57638710 |
1 |
NO4C17H25 |
AB4C17D25 |
-179.74 |
4.87 |
-9.49 |
0.21 |
0 |
|
|
163093 |
57638744 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-217.32 |
2.73 |
-9.16 |
-0.25 |
0 |
|
|
163094 |
57638805 |
1 |
NRbO3C21H32 |
ABC3D21E32 |
-183.31 |
12.03 |
-7.77 |
0.33 |
0 |
|
|
163096 |
57639084 |
2 |
NC7H15 |
AB7C15 |
-48.04 |
0.5 |
-8.83 |
3.06 |
0 |
|
|
163097 |
57639446 |
1 |
O2F3N6C22H25 |
A2B3C6D22E25 |
-158.64 |
2.82 |
-8.48 |
-0.9 |
0 |
|
|
163098 |
57639702 |
1 |
ClON3C18H20 |
ABC3D18E20 |
46.87 |
4.71 |
-8.86 |
-0.63 |
0 |
|
|
163099 |
57640984 |
1 |
SiO7C25H46 |
AB7C25D46 |
-377.48 |
2.74 |
-9.0 |
0.1 |
0 |
|
|
163100 |
57641243 |
1 |
SCl2O3N4C21H24 |
AB2C3D4E21F24 |
-98.68 |
5.57 |
-9.56 |
-0.84 |
0 |
|
|
163101 |
57641279 |
1 |
Cl2O3N5H15C18 |
A2B3C5D15E18 |
-17.06 |
2.97 |
-9.69 |
-1.19 |
0 |
|
|
163102 |
57641310 |
1 |
Cl2N3O5C29H29 |
A2B3C5D29E29 |
-179.31 |
2.77 |
-9.54 |
-1.12 |
0 |
|
|
163103 |
57641322 |
1 |
Cl2N2O3H16C22 |
A2B2C3D16E22 |
-60.72 |
3.02 |
-8.89 |
-1.32 |
0 |
|
|
163104 |
57641343 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-42.86 |
4.41 |
-8.78 |
-0.41 |
0 |
|
|
163105 |
57641417 |
1 |
NO2H23C35 |
AB2C23D35 |
73.65 |
4.39 |
-8.01 |
-1.33 |
0 |
|
|
163106 |
57641423 |
1 |
N2O4H64C83 |
A2B4C64D83 |
116.05 |
10.79 |
-8.07 |
-1.27 |
0 |
|
|
163107 |
57641437 |
1 |
OC8H14 |
AB8C14 |
-55.11 |
1.54 |
-8.87 |
1.37 |
0 |
|
|
163108 |
57641454 |
1 |
NS2O8C12H17 |
AB2C8D12E17 |
-245.14 |
0.5 |
-9.25 |
-1.48 |
0 |
|
|
163109 |
57641459 |
1 |
NSO9C13H19 |
ABC9D13E19 |
-277.11 |
5.44 |
-9.37 |
-1.36 |
-1 |
|
|
163111 |
57641560 |
1 |
O20C61H74 |
A20B61C74 |
-721.17 |
10.55 |
-8.09 |
-0.85 |
0 |
|
|
163112 |
57641687 |
1 |
SiN3O4C24H41 |
AB3C4D24E41 |
-184.28 |
1.05 |
-8.75 |
-1.06 |
0 |
|
|
163114 |
57642287 |
1 |
N5O5C33H41 |
A5B5C33D41 |
-163.26 |
6.5 |
-8.65 |
-0.66 |
0 |
|
|
163115 |
57643836 |
2 |
O2C10H15 |
A2B10C15 |
-200.51 |
2.61 |
-9.96 |
-0.49 |
0 |
|
|
163116 |
57643941 |
2 |
ClN2O2H9C16 |
AB2C2D9E16 |
24.49 |
5.69 |
-8.87 |
-2.45 |
0 |
|
|
163117 |
57643966 |
1 |
SN2O4C18H24 |
AB2C4D18E24 |
-136.4 |
5.41 |
-9.24 |
-0.78 |
0 |
|
|
163118 |
57643968 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
-39.15 |
2.7 |
-8.81 |
-0.26 |
0 |
|
|
163119 |
57643971 |
1 |
SO4N5H21C22 |
AB4C5D21E22 |
-1.12 |
3.45 |
-9.34 |
-0.78 |
0 |
|
|
163121 |
57646365 |
1 |
N3O5C26H31 |
A3B5C26D31 |
-72.66 |
8.74 |
-6.88 |
-1.52 |
0 |
|
|
163123 |
57646407 |
1 |
NSO6C10H19 |
ABC6D10E19 |
-289.47 |
2.98 |
-10.44 |
-0.03 |
0 |
|
|
163125 |
57646420 |
1 |
O5N8C30H46 |
A5B8C30D46 |
-217.61 |
11.51 |
-8.93 |
-0.46 |
0 |
|
|
163134 |
57646478 |
1 |
SO2C14H20 |
AB2C14D20 |
-91.81 |
2.95 |
-8.78 |
-0.66 |
0 |
|
|
163135 |
57646527 |
1 |
ClFN2O4H12C15 |
ABC2D4E12F15 |
-180.36 |
8.94 |
-9.69 |
-1.59 |
0 |
|
|
163136 |
57646544 |
1 |
SN2O5H6C8 |
AB2C5D6E8 |
-148.01 |
7.78 |
-9.4 |
-1.99 |
0 |
|
|
163137 |
57646545 |
1 |
FO6H11C17 |
AB6C11D17 |
-250.41 |
5.66 |
-10.18 |
-1.83 |
0 |
|
|
163139 |
57646549 |
1 |
ClN2S2O6H17C26 |
AB2C2D6E17F26 |
-112.17 |
10.71 |
-9.37 |
-1.84 |
0 |
|
|
163140 |
57646551 |
1 |
FSN3O5H12C15 |
ABC3D5E12F15 |
-173.74 |
7.34 |
-9.24 |
-1.67 |
0 |
|
|
163141 |
57646559 |
1 |
O2N7H11C15 |
A2B7C11D15 |
124.76 |
2.08 |
-9.5 |
-2.05 |
0 |
|
|
163142 |
57646561 |
1 |
NO4H13C15 |
AB4C13D15 |
-129.33 |
9.74 |
-9.93 |
-1.27 |
0 |
|
|
163145 |
57646598 |
1 |
ClN2S2O6H15C26 |
AB2C2D6E15F26 |
-91.28 |
10.35 |
-9.58 |
-2.03 |
0 |
|
|
163146 |
57646603 |
1 |
FNO4H10C16 |
ABC4D10E16 |
-135.02 |
5.43 |
-9.84 |
-1.87 |
0 |
|
|
163147 |
57646605 |
1 |
SN2O5H14C16 |
AB2C5D14E16 |
-131.94 |
7.16 |
-9.88 |
-1.88 |
0 |
|
|
163148 |
57646607 |
1 |
NO5C21H21 |
AB5C21D21 |
-173.35 |
11.73 |
-9.04 |
-1.43 |
0 |
|
|
163149 |
57646611 |
1 |
FNO4H12C17 |
ABC4D12E17 |
-158.99 |
8.2 |
-9.24 |
-1.27 |
-2 |
|
|
163150 |
57646612 |
1 |
NYO4H11C13 |
ABC4D11E13 |
-55.63 |
4.53 |
0.0 |
0.0 |
0 |
|
|
163151 |
57646615 |
1 |
ClS2N4O5H25C30 |
AB2C4D5E25F30 |
-73.21 |
12.04 |
-8.81 |
-1.23 |
0 |
|
|
163152 |
57646617 |
1 |
FSN2O5H15C17 |
ABC2D5E15F17 |
-195.72 |
7.65 |
-9.09 |
-1.55 |
0 |
|
|
163153 |
57646618 |
1 |
NF3O4H12C16 |
AB3C4D12E16 |
-291.46 |
6.48 |
-10.1 |
-1.44 |
0 |
|
|
163154 |
57646620 |
1 |
ClN2S2O5H23C33 |
AB2C2D5E23F33 |
-48.54 |
13.66 |
-9.21 |
-1.46 |
0 |
|
|
163155 |
57646622 |
1 |
ClFO3N6H14C19 |
ABC3D6E14F19 |
3.7 |
5.61 |
-9.34 |
-1.62 |
0 |
|
|
163158 |
57646638 |
1 |
FNO4H20C21 |
ABC4D20E21 |
-184.58 |
10.65 |
-9.49 |
-1.55 |
0 |
|
|
163159 |
57646640 |
1 |
ClS2N3O7H18C26 |
AB2C3D7E18F26 |
-156.63 |
11.39 |
-9.18 |
-1.34 |
0 |
|
|
163160 |
57646645 |
1 |
N2O5H14C15 |
A2B5C14D15 |
-163.21 |
6.99 |
-8.85 |
-1.61 |
0 |
|
|
163161 |
57646648 |
1 |
ClNO4H12C15 |
ABC4D12E15 |
-139.18 |
8.15 |
-9.89 |
-1.38 |
0 |
|
|
163162 |
57646657 |
1 |
FO4H11C17 |
AB4C11D17 |
-149.58 |
8.48 |
-9.8 |
-1.54 |
0 |
|
|
163163 |
57646663 |
1 |
O3N4H16C24 |
A3B4C16D24 |
70.43 |
5.52 |
-9.02 |
-1.75 |
0 |
|
|
163164 |
57646678 |
1 |
ClO3N4H15C24 |
AB3C4D15E24 |
61.83 |
6.53 |
-9.07 |
-1.82 |
0 |