List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
127164 |
50993134 |
1 |
O3C19H26 |
A3B19C26 |
-97.15 |
4.29 |
-9.69 |
-0.2 |
0 |
|
|
127165 |
50993135 |
1 |
BO5C25H37 |
AB5C25D37 |
-244.68 |
2.77 |
-9.57 |
0.63 |
0 |
|
|
127166 |
50993138 |
1 |
SN6O7C36H36 |
AB6C7D36E36 |
-140.15 |
6.17 |
-8.93 |
-0.98 |
0 |
|
|
127167 |
50993139 |
1 |
SN5O7H35C36 |
AB5C7D35E36 |
-128.18 |
5.71 |
-9.08 |
-1.38 |
0 |
|
|
127168 |
50993140 |
1 |
PSN2O4C16H21 |
ABC2D4E16F21 |
-146.1 |
8.55 |
-9.78 |
-1.61 |
0 |
|
|
127169 |
50993141 |
1 |
NPSO5C16H24 |
ABCD5E16F24 |
-239.46 |
1.93 |
-8.87 |
-0.77 |
0 |
|
|
127170 |
50993187 |
1 |
SN3O5H17C22 |
AB3C5D17E22 |
-85.27 |
6.01 |
-9.28 |
-1.47 |
0 |
|
|
127171 |
50993372 |
1 |
FNO8C20H20 |
ABC8D20E20 |
-350.84 |
9.01 |
-9.0 |
-0.62 |
0 |
|
|
127172 |
50993373 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-122.24 |
5.17 |
-8.4 |
-0.16 |
0 |
|
|
127173 |
50993374 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-123.07 |
5.84 |
-8.47 |
-0.19 |
0 |
|
|
127174 |
50993375 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-123.06 |
5.13 |
-8.47 |
-0.17 |
0 |
|
|
127175 |
50993376 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-121.18 |
3.39 |
-8.35 |
-0.14 |
0 |
|
|
127176 |
50993377 |
1 |
BrNO4C20H20 |
ABC4D20E20 |
-109.63 |
5.19 |
-8.44 |
-0.23 |
0 |
|
|
127177 |
50993409 |
1 |
SN7O20C90H141 |
AB7C20D90E141 |
-944.74 |
12.19 |
-8.72 |
-0.57 |
0 |
|
|
127178 |
50993454 |
1 |
ClNO8C20H20 |
ABC8D20E20 |
-313.37 |
7.19 |
-8.96 |
-0.72 |
0 |
|
|
127179 |
50993455 |
1 |
ClNO8C20H20 |
ABC8D20E20 |
-312.49 |
7.41 |
-8.91 |
-0.66 |
0 |
|
|
127180 |
50993503 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-139.95 |
1.22 |
-8.82 |
-0.36 |
0 |
|
|
127181 |
50993539 |
1 |
ClFNO9C27H27 |
ABCD9E27F27 |
-389.42 |
9.42 |
-8.73 |
-0.47 |
0 |
|
|
127182 |
50993545 |
1 |
S2O3H12C14 |
A2B3C12D14 |
-40.02 |
3.13 |
-8.99 |
-1.61 |
0 |
|
|
127183 |
50993546 |
3 |
OC5H6 |
AB5C6 |
-111.0 |
2.08 |
-9.26 |
-0.08 |
0 |
|
|
127184 |
50993593 |
1 |
FO3N5C27H36 |
AB3C5D27E36 |
-152.19 |
4.19 |
-8.64 |
-0.43 |
0 |
|
|
127185 |
50993594 |
2 |
ClNO2H7C9 |
ABC2D7E9 |
-31.19 |
2.85 |
-9.03 |
-1.56 |
0 |
|
|
127186 |
50993595 |
1 |
N2F3O3H13C18 |
A2B3C3D13E18 |
-127.33 |
9.31 |
-9.44 |
-1.77 |
0 |
|
|
127187 |
50993596 |
1 |
N2O3F6H12C19 |
A2B3C6D12E19 |
-289.1 |
6.47 |
-9.63 |
-2.01 |
0 |
|
|
127188 |
50993597 |
1 |
N2O3F6H12C19 |
A2B3C6D12E19 |
-290.39 |
5.69 |
-9.72 |
-2.0 |
0 |
|
|
127189 |
50993598 |
1 |
N2F3O4H15C19 |
A2B3C4D15E19 |
-169.02 |
10.75 |
-9.28 |
-1.74 |
0 |
|
|
127190 |
50993819 |
1 |
ClPSN2O5H24C25 |
ABCD2E5F24G25 |
-158.93 |
2.31 |
-9.1 |
-0.95 |
0 |
|
|
127191 |
50993869 |
1 |
SiN2O2C36H42 |
AB2C2D36E42 |
-28.52 |
8.04 |
-8.3 |
-0.15 |
0 |
|
|
127192 |
50994041 |
1 |
ClF4O4N9C20H22 |
AB4C4D9E20F22 |
-245.12 |
1.12 |
-8.9 |
-0.97 |
0 |
|
|
127193 |
50994054 |
1 |
FN2O2H19C24 |
AB2C2D19E24 |
-30.31 |
5.07 |
-8.92 |
-0.95 |
0 |
|
|
127194 |
50994055 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-76.88 |
4.08 |
-9.65 |
-0.37 |
0 |
|
|
127195 |
50994167 |
1 |
O3C23H26 |
A3B23C26 |
-99.19 |
3.63 |
-9.34 |
0.25 |
0 |
|
|
127196 |
50994169 |
1 |
NSO3C25H25 |
ABC3D25E25 |
-10.19 |
3.87 |
-8.54 |
-1.13 |
0 |
|
|
127197 |
50994209 |
1 |
FN2O2C29H37 |
AB2C2D29E37 |
-107.83 |
6.92 |
-8.79 |
-0.78 |
0 |
|
|
127198 |
50994216 |
1 |
SO3N5C21H25 |
AB3C5D21E25 |
0.16 |
4.46 |
-9.19 |
-1.46 |
0 |
|
|
127199 |
50994276 |
1 |
N2O3F6H8C14 |
A2B3C6D8E14 |
-314.82 |
3.9 |
-9.75 |
-2.0 |
0 |
|
|
127200 |
50994292 |
2 |
N2O2C5H6 |
A2B2C5D6 |
-3.31 |
10.18 |
-9.38 |
-1.09 |
0 |
|
|
127201 |
50994293 |
1 |
N4O5C17H24 |
A4B5C17D24 |
-73.51 |
7.83 |
-9.4 |
-1.21 |
0 |
|
|
127202 |
50994294 |
1 |
N4O5C17H22 |
A4B5C17D22 |
-66.48 |
8.45 |
-9.39 |
-1.2 |
0 |
|
|
127203 |
50994295 |
1 |
N4C17H26 |
A4B17C26 |
13.04 |
2.47 |
-7.9 |
0.13 |
0 |
|
|
127204 |
50994355 |
1 |
BrN2O2H11C14 |
AB2C2D11E14 |
-20.12 |
3.73 |
-9.4 |
-1.22 |
0 |
|
|
127205 |
50994356 |
1 |
BrSN2O3H11C13 |
ABC2D3E11F13 |
-53.59 |
5.09 |
-9.47 |
-1.19 |
0 |
|
|
127206 |
50994357 |
1 |
BrO2N3H14C15 |
AB2C3D14E15 |
-12.44 |
4.38 |
-9.25 |
-1.17 |
0 |
|
|
127207 |
50994358 |
1 |
SiN3O3C37H41 |
AB3C3D37E41 |
-66.48 |
3.69 |
-8.35 |
-0.84 |
0 |
|
|
127208 |
50994359 |
1 |
SiN3O3C31H37 |
AB3C3D31E37 |
-90.13 |
5.74 |
-8.44 |
-0.88 |
0 |
|
|
127209 |
50994507 |
1 |
SO2F3N4H17C20 |
AB2C3D4E17F20 |
-172.23 |
4.01 |
-8.7 |
-0.75 |
0 |
|
|
127210 |
50994508 |
1 |
BrN3O4C18H18 |
AB3C4D18E18 |
-98.43 |
2.52 |
-8.86 |
-1.2 |
0 |
|
|
127211 |
50994509 |
1 |
BrClN2O3H12C15 |
ABC2D3E12F15 |
-73.43 |
4.04 |
-9.6 |
-1.29 |
0 |
|
|
127212 |
50994596 |
1 |
N3O4C28H33 |
A3B4C28D33 |
-122.74 |
4.48 |
-8.74 |
-0.83 |
0 |
|
|
127213 |
50994603 |
2 |
N2H8C11 |
A2B8C11 |
153.39 |
8.75 |
-9.15 |
-1.37 |
0 |
|
|
127214 |
50994682 |
1 |
NO5C30H35 |
AB5C30D35 |
-180.6 |
3.18 |
-8.42 |
-0.6 |
0 |
|
|
127215 |
50994855 |
1 |
NOC25H51 |
ABC25D51 |
-131.63 |
1.98 |
-8.93 |
1.19 |
0 |
|
|
127216 |
50995000 |
1 |
ON4C20H22 |
AB4C20D22 |
27.95 |
6.37 |
-8.33 |
-0.33 |
0 |
|
|
127217 |
50995010 |
1 |
O4F5N5H20C27 |
A4B5C5D20E27 |
-202.03 |
6.21 |
-9.34 |
-1.7 |
0 |
|
|
127218 |
50995045 |
1 |
FCl2N4O5H25C27 |
AB2C4D5E25F27 |
-174.56 |
5.15 |
-9.45 |
-1.06 |
0 |
|
|
127219 |
50995046 |
1 |
ON3H25C26 |
AB3C25D26 |
39.63 |
4.95 |
-8.75 |
-0.71 |
0 |
|
|
127220 |
50995047 |
1 |
N2O3H24C25 |
A2B3C24D25 |
-46.75 |
8.25 |
-8.53 |
-0.92 |
0 |
|
|
127221 |
50995048 |
1 |
N2O2F3H17C24 |
A2B2C3D17E24 |
-153.37 |
6.39 |
-8.91 |
-1.0 |
0 |
|
|
127222 |
50995064 |
1 |
FN6O6C38H47 |
AB6C6D38E47 |
-246.49 |
9.87 |
-9.02 |
-0.88 |
0 |
|
|
127223 |
50995092 |
1 |
OF2N7H23C25 |
AB2C7D23E25 |
8.44 |
4.48 |
-8.96 |
-0.88 |
0 |
|
|
127224 |
50995159 |
1 |
ClO3N5F6H14C20 |
AB3C5D6E14F20 |
-354.85 |
3.42 |
-9.34 |
-1.09 |
0 |
|
|
127225 |
50995185 |
1 |
ON6C19H22 |
AB6C19D22 |
41.79 |
3.44 |
-8.52 |
-0.85 |
0 |
|
|
127226 |
50995193 |
1 |
F5N5O5H24C29 |
A5B5C5D24E29 |
-257.1 |
6.37 |
-9.42 |
-1.76 |
0 |
|
|
127227 |
50995208 |
1 |
F4N4O5H16C20 |
A4B4C5D16E20 |
-306.89 |
6.82 |
-9.18 |
-1.19 |
0 |
|
|
127228 |
50995290 |
1 |
NF3O3C15H18 |
AB3C3D15E18 |
-279.82 |
2.13 |
-9.48 |
-0.39 |
0 |
|
|
127229 |
50995329 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
-5.93 |
9.35 |
-9.02 |
-0.45 |
0 |
|
|
127230 |
50995355 |
1 |
SF2O4N6C17H18 |
AB2C4D6E17F18 |
-146.59 |
6.59 |
-8.79 |
-1.38 |
0 |
|
|
127232 |
50995469 |
1 |
FON7C24H26 |
ABC7D24E26 |
30.68 |
2.2 |
-8.93 |
-0.77 |
0 |
|
|
127233 |
50995471 |
2 |
N5C14H14 |
A5B14C14 |
188.42 |
2.97 |
-8.67 |
-0.8 |
0 |
|
|
127234 |
50995472 |
1 |
BrO2N5H14C16 |
AB2C5D14E16 |
54.92 |
7.13 |
-9.56 |
-1.23 |
0 |
|
|
127235 |
50995492 |
1 |
FON5H20C24 |
ABC5D20E24 |
20.87 |
3.88 |
-8.17 |
-0.55 |
0 |
|
|
127236 |
50995493 |
1 |
ClFON5H17C23 |
ABCD5E17F23 |
24.74 |
2.89 |
-8.21 |
-0.57 |
0 |
|
|
127237 |
50995794 |
1 |
NO2F5H32C33 |
AB2C5D32E33 |
-276.15 |
2.36 |
-8.98 |
-0.89 |
0 |
|
|
127238 |
50995921 |
1 |
OSF3N4C19H19 |
ABC3D4E19F19 |
-127.37 |
3.95 |
-9.0 |
-1.17 |
0 |
|
|
127239 |
50996041 |
1 |
FN4O5C27H31 |
AB4C5D27E31 |
-189.68 |
9.71 |
-8.92 |
-0.83 |
0 |
|
|
127240 |
50996042 |
1 |
FN4O6C28H33 |
AB4C6D28E33 |
-239.52 |
9.15 |
-9.2 |
-1.22 |
0 |
|
|
127241 |
50996077 |
1 |
OS2N8H14C17 |
AB2C8D14E17 |
107.25 |
11.33 |
-9.03 |
-1.82 |
0 |
|
|
127242 |
50996122 |
1 |
OCl2N4C21H28 |
AB2C4D21E28 |
-30.16 |
9.04 |
-8.77 |
-0.57 |
0 |
|
|
127243 |
50996151 |
1 |
O5N6C41H46 |
A5B6C41D46 |
-120.26 |
7.81 |
-8.18 |
-0.53 |
0 |
|
|
127244 |
50996152 |
1 |
O5N6C41H46 |
A5B6C41D46 |
-119.12 |
4.57 |
-8.18 |
-0.23 |
0 |
|
|
127245 |
50996153 |
1 |
SN4O6C42H42 |
AB4C6D42E42 |
-140.62 |
1.58 |
-9.2 |
-0.96 |
0 |
|
|
127246 |
50996218 |
1 |
FN4O6C27H31 |
AB4C6D27E31 |
-229.92 |
6.45 |
-8.9 |
-1.06 |
0 |
|
|
127247 |
50996219 |
1 |
FN4O6C26H29 |
AB4C6D26E29 |
-223.7 |
8.91 |
-9.03 |
-1.12 |
0 |
|
|
127248 |
50996227 |
1 |
O2N4C25H30 |
A2B4C25D30 |
-22.4 |
4.41 |
-9.11 |
-0.18 |
0 |
|
|
127249 |
50996343 |
1 |
SN2O2C19H22 |
AB2C2D19E22 |
-38.44 |
3.6 |
-8.84 |
-0.77 |
0 |
|
|
127250 |
50996459 |
1 |
F5N6O6H31C32 |
A5B6C6D31E32 |
-300.57 |
2.32 |
-9.28 |
-1.59 |
0 |
|
|
127257 |
50996487 |
1 |
FCl3N3O4H19C25 |
AB3C3D4E19F25 |
-134.11 |
6.67 |
-9.21 |
-1.11 |
0 |
|
|
127258 |
50996543 |
1 |
BrO2N4H15C16 |
AB2C4D15E16 |
53.85 |
6.28 |
-9.23 |
-1.22 |
0 |
|
|
127259 |
50996544 |
1 |
BrON7H14C17 |
ABC7D14E17 |
140.22 |
8.55 |
-9.02 |
-1.22 |
0 |
|
|
127260 |
50996558 |
1 |
SN6O6C28H36 |
AB6C6D28E36 |
-213.92 |
10.3 |
-8.91 |
-0.96 |
0 |
|
|
127261 |
50996559 |
1 |
OF3N5H20C24 |
AB3C5D20E24 |
-102.83 |
6.92 |
-8.52 |
-0.66 |
0 |
|
|
127262 |
50996608 |
1 |
OSF2N7H15C20 |
ABC2D7E15F20 |
0.33 |
8.26 |
-9.16 |
-1.38 |
0 |
|
|
127263 |
50996619 |
1 |
ClSO4N7C22H26 |
ABC4D7E22F26 |
-80.64 |
5.8 |
-9.01 |
-0.86 |
0 |
|
|
127264 |
50996620 |
1 |
FSO4N7C22H26 |
ABC4D7E22F26 |
-117.31 |
6.34 |
-9.02 |
-0.81 |
0 |
|
|
127265 |
50996621 |
1 |
SF2O4N7C22H25 |
AB2C4D7E22F25 |
-166.4 |
5.83 |
-9.1 |
-0.9 |
0 |
|
|
127266 |
50996622 |
1 |
ClSO4N7C23H28 |
ABC4D7E23F28 |
-88.86 |
3.6 |
-8.83 |
-0.68 |
0 |
|
|
127267 |
50996623 |
1 |
ClFSO4N7C24H27 |
ABCD4E7F24G27 |
-108.61 |
7.11 |
-8.87 |
-0.64 |
0 |
|
|
127268 |
50996661 |
1 |
Cl4N4O4H22C27 |
A4B4C4D22E27 |
-108.81 |
7.95 |
-9.12 |
-1.21 |
0 |
|
|
127269 |
50996715 |
1 |
BrO3N4H15C17 |
AB3C4D15E17 |
22.87 |
5.91 |
-9.52 |
-1.35 |
0 |
|
|
127270 |
50996716 |
1 |
BrO3N4C19H21 |
AB3C4D19E21 |
13.0 |
4.96 |
-9.15 |
-0.87 |
0 |