List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
140313 |
52681553 |
1 |
N4O5C23H27 |
A4B5C23D27 |
-114.46 |
4.14 |
0.0 |
0.0 |
1 |
|
|
140314 |
52681554 |
1 |
N4O5C23H27 |
A4B5C23D27 |
-110.99 |
2.44 |
0.0 |
0.0 |
0 |
|
|
140315 |
52681555 |
1 |
ClSO3N4C20H21 |
ABC3D4E20F21 |
-48.68 |
7.19 |
-9.08 |
-1.26 |
1 |
|
|
140316 |
52681572 |
1 |
O2S2N5C22H24 |
A2B2C5D22E24 |
8.88 |
3.38 |
0.0 |
0.0 |
0 |
|
|
140317 |
52681750 |
1 |
OSN6C25H32 |
ABC6D25E32 |
40.85 |
2.88 |
-8.56 |
-0.2 |
0 |
|
|
140318 |
52681893 |
1 |
BrN3O3C23H28 |
AB3C3D23E28 |
-88.29 |
6.52 |
-8.87 |
-0.82 |
0 |
|
|
140319 |
52682002 |
1 |
SO2N4C21H32 |
AB2C4D21E32 |
-62.08 |
3.8 |
-8.6 |
0.09 |
0 |
|
|
140320 |
52682003 |
1 |
SO2N4C21H32 |
AB2C4D21E32 |
-69.64 |
5.76 |
-8.75 |
0.01 |
0 |
|
|
140321 |
52682004 |
2 |
OSN3C10H14 |
ABC3D10E14 |
5.95 |
6.2 |
-8.61 |
-0.41 |
0 |
|
|
140322 |
52682005 |
1 |
S2F3O3N4C18H23 |
A2B3C3D4E18F23 |
-224.97 |
9.9 |
-8.81 |
-1.43 |
0 |
|
|
140323 |
52682006 |
1 |
SO2N5C24H31 |
AB2C5D24E31 |
-30.93 |
4.15 |
-8.67 |
-0.85 |
0 |
|
|
140324 |
52682007 |
1 |
S2O3N5C22H33 |
A2B3C5D22E33 |
-69.19 |
8.49 |
-8.82 |
-0.65 |
0 |
|
|
140325 |
52682238 |
1 |
FO4N5C21H24 |
AB4C5D21E24 |
-93.82 |
4.58 |
-9.19 |
-1.27 |
0 |
|
|
140326 |
52682562 |
1 |
F3O3N6C21H25 |
A3B3C6D21E25 |
-184.45 |
1.6 |
-9.26 |
-1.19 |
0 |
|
|
140327 |
52682920 |
1 |
FON2C20H23 |
ABC2D20E23 |
-50.09 |
5.73 |
-8.34 |
0.05 |
0 |
|
|
140328 |
52682921 |
1 |
FON2C20H23 |
ABC2D20E23 |
-52.77 |
2.69 |
-8.48 |
-0.17 |
0 |
|
|
140329 |
52683121 |
1 |
O3H20C22 |
A3B20C22 |
-35.19 |
3.64 |
-9.09 |
-0.99 |
0 |
|
|
140330 |
52683122 |
1 |
O2N3H19C21 |
A2B3C19D21 |
24.5 |
2.67 |
-8.97 |
-1.15 |
0 |
|
|
140331 |
52683259 |
1 |
O2N5C20H21 |
A2B5C20D21 |
19.85 |
0.98 |
-8.99 |
-0.94 |
1 |
|
|
140332 |
52683342 |
1 |
SN3O3C23H30 |
AB3C3D23E30 |
-49.4 |
5.56 |
0.0 |
0.0 |
0 |
|
|
140333 |
52683421 |
1 |
SCl2O2N4C19H24 |
AB2C2D4E19F24 |
-51.18 |
3.72 |
-9.23 |
-0.67 |
1 |
|
|
140334 |
52683502 |
1 |
OCl2N3C20H24 |
AB2C3D20E24 |
0.07 |
11.32 |
0.0 |
0.0 |
1 |
|
|
140335 |
52683926 |
1 |
F2N2O2C19H21 |
A2B2C2D19E21 |
-116.83 |
2.36 |
0.0 |
0.0 |
-1 |
|
|
140336 |
52683937 |
1 |
SO2N5H20C23 |
AB2C5D20E23 |
98.52 |
1.48 |
0.0 |
0.0 |
0 |
|
|
140337 |
52684387 |
1 |
ClN2O2C21H25 |
AB2C2D21E25 |
-61.55 |
3.24 |
-8.67 |
-0.14 |
1 |
|
|
140338 |
52684686 |
1 |
N3O4C23H30 |
A3B4C23D30 |
-43.86 |
7.07 |
0.0 |
0.0 |
1 |
|
|
140339 |
52684699 |
1 |
N4O4C23H31 |
A4B4C23D31 |
-17.71 |
7.23 |
0.0 |
0.0 |
1 |
|
|
140340 |
52684899 |
1 |
ON3C23H36 |
AB3C23D36 |
-15.79 |
2.78 |
0.0 |
0.0 |
1 |
|
|
140341 |
52685329 |
1 |
N2O2C24H33 |
A2B2C24D33 |
-55.46 |
7.8 |
0.0 |
0.0 |
0 |
|
|
140342 |
52685330 |
2 |
NOC12H16 |
ABC12D16 |
-74.74 |
6.43 |
-8.77 |
-0.18 |
0 |
|
|
140343 |
52685378 |
2 |
ON2C13H17 |
AB2C13D17 |
-65.79 |
8.42 |
-8.59 |
-0.92 |
1 |
|
|
140344 |
52685461 |
1 |
N4O5C26H33 |
A4B5C26D33 |
-84.55 |
10.77 |
0.0 |
0.0 |
0 |
|
|
140345 |
52685462 |
1 |
N4O5C26H32 |
A4B5C26D32 |
-104.46 |
8.93 |
-8.95 |
-1.55 |
0 |
|
|
140346 |
52685677 |
1 |
SN2O5C25H28 |
AB2C5D25E28 |
-141.76 |
5.99 |
-8.96 |
-0.37 |
0 |
|
|
140347 |
52685688 |
1 |
SN3O5C23H25 |
AB3C5D23E25 |
-139.41 |
4.48 |
-9.03 |
-0.86 |
0 |
|
|
140348 |
52685723 |
1 |
SN3O3H23C26 |
AB3C3D23E26 |
-18.78 |
3.25 |
-9.05 |
-1.5 |
0 |
|
|
140349 |
52685730 |
1 |
N2O3C25H26 |
A2B3C25D26 |
-69.89 |
3.39 |
-9.02 |
-0.1 |
1 |
|
|
140350 |
52685934 |
1 |
N2O2C17H27 |
A2B2C17D27 |
-38.99 |
4.23 |
0.0 |
0.0 |
0 |
|
|
140351 |
52685935 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-59.91 |
4.42 |
-8.51 |
0.5 |
1 |
|
|
140352 |
52685936 |
1 |
O2N3C23H32 |
A2B3C23D32 |
-29.57 |
5.37 |
0.0 |
0.0 |
0 |
|
|
140353 |
52686435 |
1 |
FON4C16H21 |
ABC4D16E21 |
-46.21 |
2.33 |
-8.58 |
-0.03 |
0 |
|
|
140354 |
52686436 |
1 |
SN2O5C12H18 |
AB2C5D12E18 |
-213.63 |
7.36 |
-10.82 |
-1.49 |
0 |
|
|
140355 |
52686437 |
1 |
SN2O5C14H16 |
AB2C5D14E16 |
-175.88 |
7.4 |
-9.7 |
-1.02 |
0 |
|
|
140356 |
52686438 |
1 |
SN2O5C14H16 |
AB2C5D14E16 |
-176.09 |
3.66 |
-9.62 |
-1.04 |
0 |
|
|
140357 |
52686439 |
1 |
N2O3C21H38 |
A2B3C21D38 |
-210.86 |
3.59 |
-9.39 |
0.79 |
0 |
|
|
140358 |
52686511 |
1 |
BrFO2N3C21H21 |
ABC2D3E21F21 |
-70.69 |
4.01 |
-8.62 |
-0.95 |
0 |
|
|
140359 |
52686516 |
1 |
O3N5C27H33 |
A3B5C27D33 |
-80.67 |
5.38 |
-8.46 |
-0.15 |
0 |
|
|
140360 |
52686563 |
1 |
S2O3N4C20H28 |
A2B3C4D20E28 |
-100.08 |
5.23 |
-8.98 |
-0.46 |
0 |
|
|
140361 |
52686704 |
1 |
N3S3O4C16H19 |
A3B3C4D16E19 |
-55.96 |
10.11 |
-8.71 |
-1.15 |
0 |
|
|
140362 |
52686882 |
1 |
FOSN4C20H21 |
ABCD4E20F21 |
2.76 |
6.06 |
-9.36 |
-0.63 |
0 |
|
|
140363 |
52686930 |
1 |
OSN4C21H24 |
ABC4D21E24 |
41.84 |
3.42 |
-8.68 |
-0.77 |
1 |
|
|
140364 |
52687205 |
1 |
SN3O4C24H34 |
AB3C4D24E34 |
-111.9 |
3.99 |
0.0 |
0.0 |
0 |
|
|
140365 |
52687380 |
1 |
O2S2N5C21H25 |
A2B2C5D21E25 |
-12.86 |
8.94 |
-8.22 |
-0.89 |
1 |
|
|
140366 |
52687446 |
1 |
O2N3C23H30 |
A2B3C23D30 |
-34.37 |
3.18 |
0.0 |
0.0 |
0 |
|
|
140367 |
52687447 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-54.12 |
6.57 |
-8.66 |
-0.08 |
-1 |
|
|
140368 |
52687496 |
1 |
NCl2S2O4H12C13 |
AB2C2D4E12F13 |
-88.66 |
5.71 |
0.0 |
0.0 |
0 |
|
|
140369 |
52687497 |
1 |
NCl2S2O4C13H13 |
AB2C2D4E13F13 |
-113.93 |
4.83 |
-8.89 |
-1.23 |
0 |
|
|
140370 |
52687665 |
1 |
ClSO3N4C10H17 |
ABC3D4E10F17 |
-109.18 |
3.29 |
-9.13 |
-0.83 |
0 |
|
|
140371 |
52687687 |
1 |
OF2N3H17C22 |
AB2C3D17E22 |
-41.13 |
4.41 |
-8.93 |
-0.85 |
0 |
|
|
140372 |
52687692 |
1 |
ClFO2N4H16C19 |
ABC2D4E16F19 |
-56.1 |
7.12 |
-8.97 |
-0.92 |
0 |
|
|
140373 |
52687693 |
1 |
FO3N5H18C22 |
AB3C5D18E22 |
-0.89 |
6.85 |
-8.92 |
-1.09 |
0 |
|
|
140374 |
52687699 |
1 |
FOSN4H17C21 |
ABCD4E17F21 |
14.1 |
6.22 |
-8.63 |
-0.78 |
0 |
|
|
140375 |
52687864 |
1 |
ClO3N4C22H33 |
AB3C4D22E33 |
-137.92 |
2.57 |
-8.96 |
-0.59 |
0 |
|
|
140376 |
52687865 |
1 |
N2O3C31H36 |
A2B3C31D36 |
-83.14 |
4.49 |
-8.89 |
-0.07 |
0 |
|
|
140377 |
52687866 |
1 |
N2O3C31H36 |
A2B3C31D36 |
-82.93 |
4.59 |
-8.82 |
0.03 |
0 |
|
|
140378 |
52687867 |
1 |
BrFNO3H15C17 |
ABCD3E15F17 |
-129.03 |
4.79 |
-9.66 |
-0.69 |
0 |
|
|
140379 |
52688138 |
1 |
O3N4H22C26 |
A3B4C22D26 |
-35.29 |
6.61 |
-8.71 |
-0.6 |
0 |
|
|
140380 |
52688430 |
1 |
FON3H16C19 |
ABC3D16E19 |
4.94 |
9.87 |
-8.89 |
-1.2 |
0 |
|
|
140381 |
52688675 |
1 |
N3O6H23C24 |
A3B6C23D24 |
-126.34 |
7.24 |
-8.54 |
-0.61 |
0 |
|
|
140382 |
52688823 |
1 |
ClNO5H18C21 |
ABC5D18E21 |
-132.7 |
8.56 |
-8.8 |
-1.18 |
0 |
|
|
140383 |
52688871 |
1 |
IN2O4C18H19 |
AB2C4D18E19 |
-94.41 |
9.64 |
-8.59 |
-0.73 |
0 |
|
|
140384 |
52689336 |
3 |
NOSC6H9 |
ABCD6E9 |
-102.48 |
12.33 |
-8.54 |
-0.95 |
0 |
|
|
140385 |
52689337 |
3 |
NOSC6H9 |
ABCD6E9 |
-103.53 |
11.62 |
-8.66 |
-1.1 |
-1 |
|
|
140386 |
52689573 |
1 |
ClSN3O4C21H21 |
ABC3D4E21F21 |
-52.43 |
6.31 |
0.0 |
0.0 |
-1 |
|
|
140387 |
52689695 |
1 |
ClSF2N3O5H13C18 |
ABC2D3E5F13G18 |
-174.46 |
2.99 |
0.0 |
0.0 |
0 |
|
|
140388 |
52690034 |
1 |
ClON3C22H34 |
ABC3D22E34 |
-56.75 |
5.49 |
-8.63 |
-0.06 |
1 |
|
|
140389 |
52690035 |
1 |
N3O3C25H40 |
A3B3C25D40 |
-100.81 |
1.75 |
0.0 |
0.0 |
0 |
|
|
140390 |
52690036 |
1 |
N3O3C25H39 |
A3B3C25D39 |
-116.9 |
5.7 |
-8.25 |
0.15 |
1 |
|
|
140391 |
52690037 |
1 |
ON5C20H36 |
AB5C20D36 |
-17.07 |
4.72 |
0.0 |
0.0 |
0 |
|
|
140392 |
52690113 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-64.97 |
3.75 |
-9.27 |
-0.4 |
0 |
|
|
140393 |
52690162 |
1 |
SF2N3O4C20H29 |
AB2C3D4E20F29 |
-263.86 |
6.55 |
-9.43 |
-0.98 |
0 |
|
|
140394 |
52690163 |
1 |
S2O3N4C20H28 |
A2B3C4D20E28 |
-118.08 |
3.7 |
-8.79 |
-1.27 |
0 |
|
|
140395 |
52690428 |
1 |
SF2N3O4C19H21 |
AB2C3D4E19F21 |
-197.55 |
4.78 |
-8.95 |
-1.26 |
0 |
|
|
140396 |
52690491 |
1 |
O2N5H23C26 |
A2B5C23D26 |
17.29 |
5.1 |
-7.92 |
-1.13 |
0 |
|
|
140397 |
52691746 |
1 |
SN4O4C22H30 |
AB4C4D22E30 |
-101.43 |
5.51 |
-8.67 |
-0.84 |
1 |
|
|
140398 |
52691859 |
1 |
FNOC19H23 |
ABCD19E23 |
-57.74 |
5.51 |
0.0 |
0.0 |
0 |
|
|
140399 |
52692068 |
1 |
N3O5C25H39 |
A3B5C25D39 |
-232.22 |
2.42 |
-9.13 |
-0.22 |
0 |
|
|
140400 |
52692187 |
1 |
SN2O3H24C25 |
AB2C3D24E25 |
-38.54 |
7.16 |
-8.42 |
-0.9 |
0 |
|
|
140401 |
52692188 |
1 |
N2F3O3H25C26 |
A2B3C3D25E26 |
-230.18 |
4.27 |
-8.7 |
-0.98 |
0 |
|
|
140402 |
52692274 |
1 |
N3O3H17C21 |
A3B3C17D21 |
-25.67 |
2.06 |
-8.62 |
-1.15 |
0 |
|
|
140403 |
52692275 |
1 |
SN2O5C25H28 |
AB2C5D25E28 |
-150.15 |
8.49 |
-8.32 |
-0.9 |
0 |
|
|
140404 |
52692328 |
1 |
SN3O4C24H31 |
AB3C4D24E31 |
-115.45 |
5.9 |
-9.4 |
-1.34 |
0 |
|
|
140405 |
52692329 |
1 |
SN3O4C24H31 |
AB3C4D24E31 |
-115.13 |
6.63 |
-9.37 |
-1.36 |
1 |
|
|
140406 |
52692620 |
1 |
O2N4C23H27 |
A2B4C23D27 |
4.44 |
5.24 |
0.0 |
0.0 |
0 |
|
|
140407 |
52692622 |
1 |
FOSN2H15C20 |
ABCD2E15F20 |
21.0 |
5.41 |
-9.43 |
-1.24 |
-1 |
|
|
140408 |
52692649 |
1 |
FSO3N4C23H26 |
ABC3D4E23F26 |
-73.41 |
3.29 |
0.0 |
0.0 |
0 |
|
|
140409 |
52692650 |
1 |
FSO3N4C23H27 |
ABC3D4E23F27 |
-109.25 |
7.11 |
-8.94 |
-0.23 |
0 |
|
|
140410 |
52692651 |
1 |
FON3C20H28 |
ABC3D20E28 |
-69.18 |
4.93 |
-8.95 |
-0.23 |
0 |
|
|
140411 |
52693179 |
1 |
SO3N4C26H32 |
AB3C4D26E32 |
-66.97 |
7.95 |
-8.66 |
-0.8 |
1 |
|
|
140412 |
52693798 |
1 |
O3N4C24H39 |
A3B4C24D39 |
-104.23 |
3.46 |
0.0 |
0.0 |
0 |