List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
123162 |
50835875 |
1 |
ClN2O2S3H15C16 |
AB2C2D3E15F16 |
-16.72 |
5.6 |
-9.21 |
-1.17 |
0 |
|
|
123163 |
50835947 |
2 |
FON2H10C11 |
ABC2D10E11 |
-79.73 |
3.42 |
-8.66 |
-0.56 |
0 |
|
|
123164 |
50835994 |
1 |
O2N4C25H28 |
A2B4C25D28 |
-5.66 |
2.99 |
-8.53 |
-0.39 |
0 |
|
|
123165 |
50835995 |
1 |
FO2N4C23H23 |
AB2C4D23E23 |
-35.46 |
6.54 |
-8.3 |
-0.21 |
0 |
|
|
123166 |
50836103 |
1 |
OS2N4C23H30 |
AB2C4D23E30 |
8.6 |
7.2 |
-8.68 |
-0.99 |
0 |
|
|
123167 |
50836138 |
1 |
O2N5C29H35 |
A2B5C29D35 |
-0.74 |
5.23 |
-7.9 |
-0.72 |
0 |
|
|
123168 |
50836273 |
1 |
O3N5C27H31 |
A3B5C27D31 |
-30.08 |
3.81 |
-7.86 |
-0.68 |
0 |
|
|
123169 |
50836279 |
1 |
ClOS2N3H16C19 |
ABC2D3E16F19 |
42.16 |
4.37 |
-8.84 |
-1.28 |
0 |
|
|
123170 |
50836280 |
1 |
OS2N3C15H17 |
AB2C3D15E17 |
16.27 |
2.19 |
-8.95 |
-1.11 |
0 |
|
|
123171 |
50836301 |
2 |
ON2C13H15 |
AB2C13D15 |
-6.3 |
3.6 |
-8.88 |
-0.76 |
0 |
|
|
123172 |
50836343 |
1 |
O3N6C28H30 |
A3B6C28D30 |
25.75 |
9.47 |
-9.2 |
-0.97 |
0 |
|
|
123173 |
50836344 |
2 |
SN2O2H10C12 |
AB2C2D10E12 |
-46.28 |
7.13 |
-8.36 |
-1.71 |
0 |
|
|
123174 |
50836421 |
1 |
ClOSN4H17C21 |
ABCD4E17F21 |
61.9 |
4.05 |
-8.56 |
-0.95 |
0 |
|
|
123175 |
50836473 |
1 |
FO3N7H18C23 |
AB3C7D18E23 |
19.45 |
2.55 |
-9.05 |
-1.5 |
0 |
|
|
123176 |
50836474 |
1 |
FO3N5H20C23 |
AB3C5D20E23 |
-15.49 |
4.44 |
-9.1 |
-1.19 |
0 |
|
|
123177 |
50836475 |
1 |
O3N5C23H27 |
A3B5C23D27 |
-18.84 |
9.32 |
-9.09 |
-0.97 |
0 |
|
|
123178 |
50836476 |
1 |
O2S2N4H20C23 |
A2B2C4D20E23 |
20.66 |
9.09 |
-9.26 |
-1.53 |
0 |
|
|
123179 |
50836565 |
3 |
NOC7H7 |
ABC7D7 |
-60.21 |
4.13 |
-9.32 |
-1.45 |
0 |
|
|
123180 |
50836615 |
1 |
ClOSN4H23C25 |
ABCD4E23F25 |
67.78 |
2.19 |
-8.58 |
-1.05 |
0 |
|
|
123181 |
50836616 |
1 |
ClOSN4C24H29 |
ABCD4E24F29 |
12.56 |
3.9 |
-8.65 |
-1.19 |
0 |
|
|
123182 |
50836617 |
1 |
O3N5C18H19 |
A3B5C18D19 |
3.61 |
5.73 |
-9.16 |
-1.09 |
0 |
|
|
123183 |
50836618 |
2 |
O2N3C11H13 |
A2B3C11D13 |
-29.06 |
5.46 |
-9.0 |
-1.13 |
0 |
|
|
123184 |
50836619 |
1 |
O3N6C23H28 |
A3B6C23D28 |
-3.07 |
3.08 |
-8.98 |
-0.88 |
0 |
|
|
123185 |
50836668 |
2 |
O2N3C12H15 |
A2B3C12D15 |
-132.4 |
6.43 |
-9.37 |
-1.24 |
0 |
|
|
123186 |
50836669 |
1 |
O4N6C23H30 |
A4B6C23D30 |
-135.34 |
5.76 |
-9.4 |
-1.31 |
0 |
|
|
123187 |
50836686 |
1 |
ClO4N6C23H23 |
AB4C6D23E23 |
-99.53 |
4.37 |
-9.23 |
-1.24 |
0 |
|
|
123188 |
50836728 |
2 |
O2N3C13H15 |
A2B3C13D15 |
-109.94 |
5.76 |
-8.67 |
-1.36 |
0 |
|
|
123189 |
50836729 |
2 |
O2N3C13H15 |
A2B3C13D15 |
-106.76 |
5.96 |
-9.11 |
-1.34 |
0 |
|
|
123190 |
50836730 |
1 |
F3N4O4H19C22 |
A3B4C4D19E22 |
-233.97 |
10.66 |
-9.07 |
-0.88 |
0 |
|
|
123191 |
50836731 |
1 |
F3N4O4H19C22 |
A3B4C4D19E22 |
-230.47 |
9.1 |
-9.03 |
-1.08 |
0 |
|
|
123192 |
50836732 |
1 |
SO3N4C17H20 |
AB3C4D17E20 |
-58.95 |
8.63 |
-8.42 |
-0.78 |
0 |
|
|
123193 |
50836790 |
1 |
SN4O4H16C18 |
AB4C4D16E18 |
-41.55 |
8.18 |
-8.38 |
-1.44 |
0 |
|
|
123194 |
50836794 |
1 |
ClO2N5H24C25 |
AB2C5D24E25 |
18.3 |
3.96 |
-8.68 |
-0.93 |
0 |
|
|
123195 |
50836898 |
1 |
S2N4O5H16C18 |
A2B4C5D16E18 |
-92.1 |
13.11 |
-9.35 |
-1.59 |
0 |
|
|
123196 |
50836899 |
1 |
SN4O6H20C21 |
AB4C6D20E21 |
-140.92 |
14.73 |
-9.26 |
-1.33 |
0 |
|
|
123197 |
50837052 |
1 |
ClFOSN3H15C21 |
ABCDE3F15G21 |
12.42 |
4.52 |
-8.97 |
-1.21 |
0 |
|
|
123198 |
50837053 |
1 |
ClSO2N3H18C22 |
ABC2D3E18F22 |
21.84 |
6.29 |
-8.43 |
-1.14 |
0 |
|
|
123199 |
50837054 |
1 |
OSN3H23C24 |
ABC3D23E24 |
45.86 |
4.52 |
-8.65 |
-0.9 |
0 |
|
|
123200 |
50837055 |
1 |
SN3O3H21C24 |
AB3C3D21E24 |
-9.51 |
4.05 |
-8.64 |
-0.99 |
0 |
|
|
123201 |
50837056 |
1 |
ClSO2N5C22H22 |
ABC2D5E22F22 |
-3.06 |
7.11 |
-8.97 |
-1.38 |
0 |
|
|
123202 |
50837057 |
1 |
FSO2N5C22H22 |
ABC2D5E22F22 |
-40.37 |
7.88 |
-8.92 |
-1.28 |
0 |
|
|
123203 |
50837058 |
1 |
SO3N6C25H28 |
AB3C6D25E28 |
-49.41 |
6.75 |
-8.89 |
-1.25 |
0 |
|
|
123204 |
50837423 |
1 |
ClN4O4H19C21 |
AB4C4D19E21 |
-65.64 |
5.36 |
-8.25 |
-1.18 |
0 |
|
|
123205 |
50837558 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-112.85 |
8.66 |
-8.18 |
-0.65 |
0 |
|
|
123206 |
50837586 |
1 |
F2O2N5C24H27 |
A2B2C5D24E27 |
-128.65 |
6.64 |
-8.65 |
-0.95 |
0 |
|
|
123207 |
50837751 |
1 |
FSN2O5C26H27 |
ABC2D5E26F27 |
-194.09 |
3.26 |
-9.07 |
-0.69 |
0 |
|
|
123208 |
50837838 |
1 |
N2O3C26H28 |
A2B3C26D28 |
-62.87 |
3.17 |
-8.5 |
-0.2 |
0 |
|
|
123209 |
50837839 |
1 |
ClFNSO4H21C23 |
ABCDE4F21G23 |
-131.69 |
7.33 |
-9.1 |
-0.92 |
0 |
|
|
123210 |
50837840 |
1 |
ClFNSO4H21C23 |
ABCDE4F21G23 |
-134.03 |
6.66 |
-9.16 |
-0.8 |
0 |
|
|
123211 |
50837841 |
1 |
FS2N3O4H20C23 |
AB2C3D4E20F23 |
-67.75 |
3.66 |
-9.25 |
-2.03 |
0 |
|
|
123212 |
50837842 |
1 |
FNSO4C24H24 |
ABCD4E24F24 |
-138.96 |
4.23 |
-9.09 |
-0.21 |
0 |
|
|
123213 |
50837843 |
1 |
FSN2O5C25H25 |
ABC2D5E25F25 |
-181.26 |
8.97 |
-9.08 |
-0.76 |
0 |
|
|
123214 |
50837844 |
1 |
ClFNSO4H21C23 |
ABCDE4F21G23 |
-136.88 |
1.72 |
-9.2 |
-1.09 |
0 |
|
|
123215 |
50837869 |
1 |
FNSO4C24H24 |
ABCD4E24F24 |
-141.76 |
6.99 |
-8.86 |
-0.57 |
0 |
|
|
123216 |
50837870 |
1 |
FNSO4H22C23 |
ABCD4E22F23 |
-123.39 |
5.06 |
-9.17 |
-0.73 |
0 |
|
|
123217 |
50837871 |
1 |
NSO4C26H29 |
ABC4D26E29 |
-112.18 |
5.76 |
-8.92 |
-0.3 |
0 |
|
|
123218 |
50837962 |
1 |
FN4O4H19C23 |
AB4C4D19E23 |
-81.83 |
3.88 |
-9.04 |
-1.35 |
0 |
|
|
123219 |
50838027 |
1 |
ClFNO3H21C24 |
ABCD3E21F24 |
-98.82 |
4.68 |
-9.09 |
-0.6 |
0 |
|
|
123220 |
50838028 |
1 |
SN4O4C22H22 |
AB4C4D22E22 |
-110.97 |
11.31 |
-8.56 |
-1.12 |
0 |
|
|
123221 |
50838029 |
1 |
SN4O4H20C21 |
AB4C4D20E21 |
-102.06 |
3.63 |
-8.58 |
-0.98 |
0 |
|
|
123222 |
50838223 |
1 |
BrN3O3H18C19 |
AB3C3D18E19 |
-86.91 |
6.53 |
-8.97 |
-0.42 |
0 |
|
|
123223 |
50838224 |
1 |
ClN3O5C21H22 |
AB3C5D21E22 |
-176.48 |
5.15 |
-8.67 |
-0.12 |
0 |
|
|
123224 |
50838226 |
1 |
ClO2N6H17C22 |
AB2C6D17E22 |
111.68 |
6.38 |
-9.48 |
-0.89 |
0 |
|
|
123225 |
50838307 |
1 |
O3N5C27H29 |
A3B5C27D29 |
-56.15 |
4.61 |
-8.78 |
-0.89 |
0 |
|
|
123226 |
50838358 |
1 |
ClO2N6H23C25 |
AB2C6D23E25 |
66.98 |
4.63 |
-9.18 |
-1.19 |
0 |
|
|
123227 |
50838483 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-45.9 |
6.4 |
-8.99 |
-1.29 |
0 |
|
|
123228 |
50838499 |
1 |
N3O4H23C26 |
A3B4C23D26 |
-78.55 |
9.14 |
-9.08 |
-1.52 |
0 |
|
|
123229 |
50838597 |
1 |
O3N7H19C24 |
A3B7C19D24 |
76.92 |
2.74 |
-9.02 |
-0.79 |
0 |
|
|
123230 |
50838696 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-66.59 |
1.59 |
-8.59 |
-0.42 |
0 |
|
|
123231 |
50838723 |
1 |
S2N3O5C21H25 |
A2B3C5D21E25 |
-159.12 |
8.06 |
-9.21 |
-1.67 |
0 |
|
|
123232 |
50838805 |
1 |
S2N3O5H19C20 |
A2B3C5D19E20 |
-99.35 |
5.23 |
-9.01 |
-1.53 |
0 |
|
|
123233 |
50838834 |
1 |
SN4O5H22C23 |
AB4C5D22E23 |
-84.79 |
6.89 |
-8.0 |
-0.73 |
0 |
|
|
123234 |
50838872 |
1 |
S2N3O5H19C21 |
A2B3C5D19E21 |
-104.03 |
1.71 |
-9.32 |
-1.59 |
0 |
|
|
123235 |
50838880 |
2 |
ON3C10H12 |
AB3C10D12 |
-5.72 |
2.41 |
-8.62 |
-0.5 |
0 |
|
|
123236 |
50838902 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-57.38 |
1.37 |
-8.58 |
-0.42 |
0 |
|
|
123237 |
50838939 |
1 |
SF3N3O4H20C22 |
AB3C3D4E20F22 |
-212.92 |
12.48 |
-8.96 |
-0.85 |
0 |
|
|
123238 |
50838968 |
1 |
SO4N5C24H27 |
AB4C5D24E27 |
-41.09 |
10.44 |
-8.42 |
-0.94 |
0 |
|
|
123239 |
50838973 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-19.64 |
5.71 |
-9.35 |
-1.31 |
0 |
|
|
123240 |
50839078 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
-34.0 |
4.36 |
-9.32 |
-1.27 |
0 |
|
|
123241 |
50839099 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-6.87 |
6.97 |
-9.03 |
-1.27 |
0 |
|
|
123242 |
50839117 |
1 |
O2N3S3C19H29 |
A2B3C3D19E29 |
-41.4 |
5.75 |
-8.79 |
-1.23 |
0 |
|
|
123243 |
50839118 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-97.93 |
8.89 |
-9.17 |
-0.89 |
0 |
|
|
123244 |
50839119 |
1 |
SN3O4C20H25 |
AB3C4D20E25 |
-89.35 |
9.63 |
-9.29 |
-1.07 |
0 |
|
|
123245 |
50839120 |
1 |
ClSN3O4C22H22 |
ABC3D4E22F22 |
-68.55 |
3.96 |
-8.91 |
-0.87 |
0 |
|
|
123246 |
50839210 |
1 |
FN2O2S3H15C16 |
AB2C2D3E15F16 |
-58.25 |
6.95 |
-8.7 |
-1.44 |
0 |
|
|
123247 |
50839246 |
1 |
N2O3S3C20H24 |
A2B3C3D20E24 |
-53.86 |
5.43 |
-8.91 |
-1.34 |
0 |
|
|
123248 |
50839256 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-22.98 |
4.37 |
-9.34 |
-1.29 |
0 |
|
|
123249 |
50839328 |
1 |
SO3N4H16C20 |
AB3C4D16E20 |
34.32 |
7.42 |
-9.42 |
-1.44 |
0 |
|
|
123250 |
50839351 |
1 |
ClN2S2F3O3H14C17 |
AB2C2D3E3F14G17 |
-193.88 |
7.41 |
-8.86 |
-1.19 |
0 |
|
|
123251 |
50839447 |
1 |
S2F3O3N4C20H21 |
A2B3C3D4E20F21 |
-189.14 |
4.01 |
-8.64 |
-1.04 |
0 |
|
|
123252 |
50839448 |
1 |
N2S2F3O3H17C18 |
A2B2C3D3E17F18 |
-188.17 |
7.44 |
-9.12 |
-0.92 |
0 |
|
|
123253 |
50839449 |
1 |
N2S2F3O3H17C18 |
A2B2C3D3E17F18 |
-185.94 |
7.67 |
-8.86 |
-1.01 |
0 |
|
|
123254 |
50839508 |
1 |
N2S2F3O4H17C18 |
A2B2C3D4E17F18 |
-214.4 |
8.29 |
-9.12 |
-0.87 |
0 |
|
|
123255 |
50839570 |
2 |
ON2C14H15 |
AB2C14D15 |
7.26 |
4.06 |
-7.71 |
-0.04 |
0 |
|
|
123256 |
50839748 |
1 |
SN4O4H20C21 |
AB4C4D20E21 |
-65.99 |
4.62 |
-8.52 |
-1.24 |
0 |
|
|
123257 |
50839749 |
1 |
SO2N4H12C13 |
AB2C4D12E13 |
-10.08 |
4.36 |
-8.53 |
-1.27 |
0 |
|
|
123258 |
50839809 |
1 |
N2S3O4C17H18 |
A2B3C4D17E18 |
-102.71 |
8.25 |
-8.94 |
-1.08 |
0 |
|
|
123259 |
50839810 |
1 |
S3N4O4C13H14 |
A3B4C4D13E14 |
-83.35 |
13.67 |
-8.7 |
-0.9 |
0 |
|
|
123260 |
50839811 |
1 |
N2S3O4C17H18 |
A2B3C4D17E18 |
-99.61 |
10.69 |
-8.96 |
-1.08 |
0 |
|
|
123261 |
50839812 |
1 |
N2S3O4C16H16 |
A2B3C4D16E16 |
-99.69 |
5.91 |
-8.94 |
-1.1 |
0 |