List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
345209 |
127268969 |
1 |
SN3O3C16H23 |
AB3C3D16E23 |
-58.74 |
2.24 |
-9.3 |
-0.86 |
0 |
|
|
345210 |
127268970 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-116.99 |
5.88 |
-8.23 |
0.02 |
0 |
|
|
345211 |
127268971 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-87.3 |
1.29 |
-8.85 |
-0.46 |
0 |
|
|
345212 |
127268972 |
1 |
N3O3C19H35 |
A3B3C19D35 |
-161.7 |
3.28 |
-8.83 |
0.98 |
0 |
|
|
345213 |
127268973 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-54.36 |
5.77 |
-8.92 |
-0.82 |
0 |
|
|
345214 |
127268974 |
1 |
SO2N4C13H20 |
AB2C4D13E20 |
-55.73 |
5.67 |
-8.59 |
-0.28 |
0 |
|
|
345215 |
127268975 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-55.1 |
2.93 |
-8.74 |
0.7 |
0 |
|
|
345216 |
127268976 |
1 |
ON4C11H16 |
AB4C11D16 |
-16.18 |
4.92 |
-9.26 |
-0.36 |
0 |
|
|
345217 |
127268977 |
1 |
O2N5C12H19 |
A2B5C12D19 |
-5.36 |
4.14 |
-9.37 |
-0.38 |
0 |
|
|
345218 |
127268978 |
2 |
ON3C7H9 |
AB3C7D9 |
12.73 |
5.37 |
-9.46 |
-0.56 |
0 |
|
|
345219 |
127268979 |
1 |
O3N7C18H23 |
A3B7C18D23 |
-34.11 |
3.31 |
-8.64 |
-0.38 |
0 |
|
|
345220 |
127268980 |
1 |
O2N7C14H21 |
A2B7C14D21 |
17.08 |
1.92 |
-8.65 |
-0.3 |
0 |
|
|
345221 |
127268981 |
1 |
O2N8C19H24 |
A2B8C19D24 |
46.51 |
4.0 |
-8.53 |
-0.64 |
0 |
|
|
345222 |
127268982 |
1 |
SO2N6C15H20 |
AB2C6D15E20 |
27.65 |
3.67 |
-8.62 |
-0.56 |
0 |
|
|
345223 |
127268983 |
1 |
O2N7C20H25 |
A2B7C20D25 |
40.71 |
1.92 |
-8.67 |
-0.32 |
0 |
|
|
345224 |
127268984 |
1 |
SO2N6C14H20 |
AB2C6D14E20 |
5.22 |
3.93 |
-8.87 |
-0.44 |
0 |
|
|
345225 |
127268985 |
1 |
SO2N6C17H24 |
AB2C6D17E24 |
3.13 |
4.6 |
-8.81 |
-0.53 |
0 |
|
|
345226 |
127268986 |
1 |
SO2N6C13H18 |
AB2C6D13E18 |
5.6 |
3.01 |
-8.79 |
-0.62 |
0 |
|
|
345227 |
127268987 |
1 |
O2N7C14H21 |
A2B7C14D21 |
16.15 |
4.27 |
-9.03 |
-0.46 |
0 |
|
|
345228 |
127268988 |
1 |
O3N6C16H22 |
A3B6C16D22 |
-34.82 |
3.87 |
-8.72 |
-0.4 |
0 |
|
|
345229 |
127268989 |
1 |
O2N5C14H23 |
A2B5C14D23 |
-35.87 |
4.62 |
-9.34 |
-0.47 |
0 |
|
|
345230 |
127268990 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-55.71 |
7.5 |
-9.33 |
-0.08 |
0 |
|
|
345231 |
127268991 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-43.76 |
2.07 |
-8.72 |
-0.18 |
0 |
|
|
345232 |
127268992 |
1 |
SO3N6C14H20 |
AB3C6D14E20 |
-26.04 |
6.24 |
-8.94 |
-0.67 |
0 |
|
|
345233 |
127268993 |
2 |
ON3C9H13 |
AB3C9D13 |
-2.73 |
3.27 |
-8.82 |
-0.59 |
0 |
|
|
345234 |
127268994 |
1 |
SO2N5C16H25 |
AB2C5D16E25 |
-62.37 |
3.87 |
-8.63 |
-0.44 |
0 |
|
|
345235 |
127268995 |
1 |
SO3N5C16H25 |
AB3C5D16E25 |
-103.44 |
4.02 |
-8.89 |
-0.58 |
0 |
|
|
345236 |
127268996 |
1 |
SO2N4C14H20 |
AB2C4D14E20 |
-72.64 |
2.85 |
-8.74 |
-0.32 |
0 |
|
|
345237 |
127268997 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-72.82 |
4.58 |
-8.26 |
0.19 |
0 |
|
|
345238 |
127268998 |
1 |
SO3N5C14H21 |
AB3C5D14E21 |
-91.89 |
4.21 |
-8.69 |
-0.52 |
0 |
|
|
345239 |
127269303 |
1 |
ON4C12H18 |
AB4C12D18 |
-12.77 |
3.39 |
-8.94 |
-0.34 |
0 |
|
|
345240 |
127269304 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-116.14 |
5.8 |
-8.91 |
-0.77 |
0 |
|
|
345241 |
127269305 |
1 |
SO3N5C16H29 |
AB3C5D16E29 |
-122.87 |
9.87 |
-8.77 |
0.06 |
0 |
|
|
345242 |
127269306 |
1 |
ON5C18H25 |
AB5C18D25 |
17.42 |
7.23 |
-8.86 |
-1.27 |
0 |
|
|
345243 |
127269307 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-76.15 |
2.5 |
-8.67 |
-0.85 |
0 |
|
|
345244 |
127269308 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-142.8 |
5.28 |
-8.93 |
-0.93 |
0 |
|
|
345245 |
127269309 |
2 |
NOC8H10 |
ABC8D10 |
-74.59 |
3.75 |
-9.1 |
-0.67 |
0 |
|
|
345246 |
127269310 |
1 |
ON3C14H19 |
AB3C14D19 |
-27.46 |
3.26 |
-9.33 |
-0.11 |
0 |
|
|
345247 |
127269311 |
1 |
ON5C20H29 |
AB5C20D29 |
-9.12 |
5.49 |
-8.96 |
-0.84 |
0 |
|
|
345248 |
127269312 |
1 |
SO3N5C18H31 |
AB3C5D18E31 |
-121.37 |
9.08 |
-8.69 |
0.02 |
0 |
|
|
345249 |
127269313 |
1 |
ON4C16H22 |
AB4C16D22 |
-3.44 |
6.16 |
-9.08 |
-0.7 |
0 |
|
|
345250 |
127269314 |
1 |
ON3C15H29 |
AB3C15D29 |
-64.53 |
4.04 |
-8.22 |
1.23 |
0 |
|
|
345251 |
127269315 |
2 |
ClON2C7H7 |
ABC2D7E7 |
-54.93 |
6.11 |
-9.44 |
-1.31 |
0 |
|
|
345252 |
127269316 |
2 |
ON2C7H13 |
AB2C7D13 |
-103.06 |
6.18 |
-8.25 |
0.7 |
0 |
|
|
345253 |
127269317 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-116.62 |
5.5 |
-8.78 |
0.81 |
0 |
|
|
345254 |
127269318 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-147.33 |
1.32 |
-8.72 |
-0.71 |
0 |
|
|
345255 |
127269336 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-162.07 |
5.4 |
-8.81 |
1.15 |
0 |
|
|
345256 |
127269337 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-138.08 |
6.16 |
-8.76 |
-0.72 |
0 |
|
|
345257 |
127269338 |
1 |
SO2N6C12H16 |
AB2C6D12E16 |
6.96 |
2.17 |
-8.86 |
-1.59 |
0 |
|
|
345258 |
127269339 |
3 |
NOC5H9 |
ABC5D9 |
-154.64 |
1.92 |
-8.99 |
0.8 |
0 |
|
|
345259 |
127269340 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-35.58 |
4.2 |
-8.73 |
-0.88 |
0 |
|
|
345260 |
127269341 |
2 |
OSN2C5H8 |
ABC2D5E8 |
-27.83 |
2.87 |
-8.71 |
-1.34 |
0 |
|
|
345261 |
127269342 |
1 |
BrN3O3C17H22 |
AB3C3D17E22 |
-106.35 |
4.08 |
-8.77 |
-0.44 |
0 |
|
|
345262 |
127269343 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-40.39 |
3.21 |
-8.75 |
-0.62 |
0 |
|
|
345263 |
127269344 |
1 |
O2N6C15H22 |
A2B6C15D22 |
-19.93 |
7.65 |
-8.79 |
-1.03 |
0 |
|
|
345264 |
127269345 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-153.94 |
5.93 |
-8.47 |
-0.52 |
0 |
|
|
345265 |
127269346 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-48.61 |
5.03 |
-8.41 |
-0.08 |
0 |
|
|
345266 |
127269347 |
2 |
ON3C7H9 |
AB3C7D9 |
7.76 |
4.48 |
-8.99 |
-1.45 |
0 |
|
|
345267 |
127269348 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-143.05 |
2.03 |
-8.79 |
-0.45 |
0 |
|
|
345268 |
127269349 |
2 |
N2O2C7H9 |
A2B2C7D9 |
-122.31 |
5.48 |
-8.83 |
-1.27 |
0 |
|
|
345269 |
127269350 |
4 |
NOC5H9 |
ABC5D9 |
-196.57 |
3.23 |
-8.77 |
1.23 |
0 |
|
|
345270 |
127269351 |
1 |
ClN3O4C19H26 |
AB3C4D19E26 |
-152.8 |
4.53 |
-8.85 |
-0.61 |
0 |
|
|
345271 |
127269429 |
1 |
O2N3C21H35 |
A2B3C21D35 |
-112.48 |
4.93 |
-8.93 |
1.05 |
0 |
|
|
345272 |
127269430 |
1 |
ON3C15H23 |
AB3C15D23 |
-14.77 |
2.17 |
-8.99 |
0.51 |
0 |
|
|
345273 |
127269431 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-38.12 |
2.98 |
-8.9 |
-0.99 |
0 |
|
|
345274 |
127269432 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-91.05 |
6.18 |
-8.84 |
-1.1 |
0 |
|
|
345275 |
127269433 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-21.23 |
7.38 |
-8.82 |
-1.64 |
0 |
|
|
345276 |
127269434 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-102.61 |
6.86 |
-8.65 |
0.71 |
0 |
|
|
345277 |
127269435 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-66.39 |
3.24 |
-8.69 |
-1.06 |
0 |
|
|
345278 |
127269436 |
1 |
SN3O3C14H27 |
AB3C3D14E27 |
-142.72 |
6.29 |
-8.88 |
0.69 |
0 |
|
|
345279 |
127269437 |
1 |
SO3N5C16H27 |
AB3C5D16E27 |
-100.61 |
3.64 |
-8.8 |
-0.27 |
0 |
|
|
345280 |
127269438 |
1 |
SO4N5C16H27 |
AB4C5D16E27 |
-117.72 |
5.59 |
-8.83 |
-0.29 |
0 |
|
|
345281 |
127269439 |
2 |
ON2C10H15 |
AB2C10D15 |
-76.86 |
7.7 |
-8.37 |
-0.22 |
0 |
|
|
345282 |
127269512 |
1 |
SN4O5C16H22 |
AB4C5D16E22 |
-185.42 |
8.85 |
-9.3 |
-0.63 |
0 |
|
|
345283 |
127269513 |
1 |
SN4O4C17H24 |
AB4C4D17E24 |
-156.95 |
4.66 |
-9.17 |
-0.51 |
0 |