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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121362 |
50765122 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-25.87 |
0.87 |
-8.38 |
-1.3 |
0 |
|
|
121363 |
50765216 |
1 |
ClN3O3C21H22 |
AB3C3D21E22 |
-59.1 |
3.48 |
-8.76 |
-1.33 |
0 |
|
|
121364 |
50765217 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-43.09 |
2.29 |
-8.28 |
-1.2 |
0 |
|
|
121365 |
50765346 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-17.96 |
1.08 |
-8.32 |
-1.31 |
0 |
|
|
121366 |
50765347 |
1 |
O2N3C19H19 |
A2B3C19D19 |
-8.63 |
1.4 |
-8.48 |
-1.38 |
0 |
|
|
121367 |
50765348 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-25.33 |
1.45 |
-8.31 |
-1.32 |
0 |
|
|
121368 |
50765349 |
1 |
ClO2N3H18C19 |
AB2C3D18E19 |
-19.35 |
2.93 |
-8.68 |
-1.52 |
0 |
|
|
121369 |
50765474 |
1 |
FON4H21C22 |
ABC4D21E22 |
1.58 |
5.14 |
-8.1 |
-0.41 |
0 |
|
|
121370 |
50765475 |
1 |
ClFON4H18C21 |
ABCD4E18F21 |
2.38 |
3.01 |
-8.22 |
-0.55 |
0 |
|
|
121371 |
50765476 |
1 |
FN4H21C22 |
AB4C21D22 |
28.37 |
4.2 |
-8.18 |
-0.41 |
0 |
|
|
121372 |
50765518 |
1 |
N3O3H25C26 |
A3B3C25D26 |
-37.42 |
2.32 |
-8.16 |
-0.68 |
0 |
|
|
121373 |
50765548 |
1 |
ON3H23C24 |
AB3C23D24 |
38.78 |
2.99 |
-8.72 |
-0.42 |
0 |
|
|
121374 |
50765551 |
1 |
ON3C22H27 |
AB3C22D27 |
-12.34 |
3.34 |
-8.67 |
-0.03 |
0 |
|
|
121375 |
50765581 |
1 |
ON5C29H29 |
AB5C29D29 |
71.32 |
6.0 |
-8.84 |
-0.46 |
0 |
|
|
121376 |
50765582 |
1 |
ON3C21H25 |
AB3C21D25 |
-5.73 |
4.54 |
-8.68 |
0.0 |
0 |
|
|
121377 |
50765583 |
1 |
O2N3H19C21 |
A2B3C19D21 |
17.18 |
3.21 |
-8.77 |
-0.73 |
0 |
|
|
121378 |
50765584 |
1 |
ClON4H19C24 |
ABC4D19E24 |
53.02 |
2.6 |
-8.9 |
-1.06 |
0 |
|
|
121379 |
50765593 |
1 |
F3O3N4H19C20 |
A3B3C4D19E20 |
-151.84 |
5.61 |
-8.86 |
-0.91 |
0 |
|
|
121380 |
50765645 |
1 |
F3N3O3H16C19 |
A3B3C3D16E19 |
-139.56 |
4.52 |
-9.72 |
-0.84 |
0 |
|
|
121381 |
50765732 |
1 |
F3N3O3C20H24 |
A3B3C3D20E24 |
-212.58 |
4.64 |
-9.45 |
-0.94 |
0 |
|
|
121382 |
50765772 |
1 |
S2N3O4H17C21 |
A2B3C4D17E21 |
-55.8 |
5.62 |
-8.38 |
-1.06 |
0 |
|
|
121383 |
50765773 |
1 |
S2N3O4H15C16 |
A2B3C4D15E16 |
-86.84 |
4.1 |
-8.32 |
-1.04 |
0 |
|
|
121384 |
50765808 |
1 |
ClON4C24H27 |
ABC4D24E27 |
10.79 |
5.48 |
-8.33 |
-1.06 |
0 |
|
|
121385 |
50765892 |
1 |
BrSO3N4C23H23 |
ABC3D4E23F23 |
-8.95 |
3.6 |
-8.46 |
-1.02 |
0 |
|
|
121386 |
50765944 |
1 |
SO2N3C24H27 |
AB2C3D24E27 |
-46.57 |
1.28 |
-8.58 |
-0.37 |
0 |
|
|
121387 |
50765988 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-41.63 |
5.05 |
-8.51 |
-0.61 |
0 |
|
|
121388 |
50766084 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-135.9 |
8.51 |
-9.04 |
-0.69 |
0 |
|
|
121389 |
50766180 |
1 |
SN4O5C24H32 |
AB4C5D24E32 |
-183.82 |
5.63 |
-8.48 |
-0.82 |
0 |
|
|
121390 |
50766181 |
1 |
SN4O5C21H26 |
AB4C5D21E26 |
-168.93 |
1.28 |
-8.51 |
-0.64 |
0 |
|
|
121391 |
50766182 |
1 |
FSN4O5C23H29 |
ABC4D5E23F29 |
-212.28 |
2.0 |
-8.54 |
-0.97 |
0 |
|
|
121392 |
50766387 |
1 |
SN2O4C26H28 |
AB2C4D26E28 |
-110.04 |
9.87 |
-8.91 |
-0.8 |
0 |
|
|
121393 |
50766465 |
1 |
SN4O5C24H32 |
AB4C5D24E32 |
-168.47 |
8.13 |
-8.42 |
-0.95 |
0 |
|
|
121394 |
50766466 |
1 |
FSN4O6C22H27 |
ABC4D6E22F27 |
-237.0 |
5.93 |
-9.26 |
-1.29 |
0 |
|
|
121395 |
50766508 |
1 |
SN2O6C25H32 |
AB2C6D25E32 |
-235.71 |
5.66 |
-8.31 |
-0.5 |
0 |
|
|
121396 |
50766509 |
1 |
SN3O5C26H29 |
AB3C5D26E29 |
-138.1 |
4.38 |
-8.43 |
-0.76 |
0 |
|
|
121397 |
50766564 |
1 |
SN2O5C23H24 |
AB2C5D23E24 |
-136.45 |
7.02 |
-8.56 |
-0.55 |
0 |
|
|
121398 |
50766650 |
1 |
SN2O6C23H28 |
AB2C6D23E28 |
-235.39 |
6.29 |
-8.41 |
-0.71 |
0 |
|
|
121399 |
50766669 |
1 |
SN2O4C19H24 |
AB2C4D19E24 |
-137.96 |
6.22 |
-8.64 |
-0.61 |
0 |
|
|
121400 |
50766776 |
1 |
SN3O4C25H33 |
AB3C4D25E33 |
-145.15 |
10.36 |
-8.78 |
-0.73 |
0 |
|
|
121401 |
50766777 |
1 |
SN2O4C15H24 |
AB2C4D15E24 |
-170.04 |
4.26 |
-8.77 |
-0.83 |
0 |
|
|
121402 |
50766783 |
1 |
SN3O4C27H35 |
AB3C4D27E35 |
-145.85 |
6.81 |
-8.79 |
-0.67 |
0 |
|
|
121403 |
50766843 |
1 |
SN2O5C19H24 |
AB2C5D19E24 |
-165.58 |
6.66 |
-8.81 |
-0.6 |
0 |
|
|
121404 |
50766893 |
1 |
SN3O4C27H37 |
AB3C4D27E37 |
-149.31 |
4.31 |
-8.23 |
-0.63 |
0 |
|
|
121405 |
50766955 |
1 |
SN3O5C24H31 |
AB3C5D24E31 |
-165.58 |
5.44 |
-8.52 |
-0.78 |
0 |
|
|
121406 |
50767015 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-149.03 |
12.41 |
-8.58 |
-0.44 |
0 |
|
|
121407 |
50767048 |
1 |
SN2O4C21H28 |
AB2C4D21E28 |
-148.95 |
11.47 |
-8.98 |
-0.73 |
0 |
|
|
121408 |
50767049 |
1 |
SN2O4C22H30 |
AB2C4D22E30 |
-151.99 |
10.1 |
-8.9 |
-0.79 |
0 |
|
|
121409 |
50767050 |
1 |
FSN3O4C23H28 |
ABC3D4E23F28 |
-162.26 |
11.24 |
-8.35 |
-1.2 |
0 |
|
|
121410 |
50767051 |
1 |
SN3O4C24H31 |
AB3C4D24E31 |
-130.52 |
11.64 |
-8.65 |
-0.61 |
0 |
|
|
121411 |
50767052 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-161.03 |
13.69 |
-8.52 |
-0.79 |
0 |
|
|
121412 |
50767053 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-130.56 |
4.4 |
-9.17 |
-0.71 |
0 |
|
|
121413 |
50767086 |
1 |
SN2O5C20H26 |
AB2C5D20E26 |
-171.61 |
5.72 |
-8.38 |
-0.37 |
0 |
|
|
121414 |
50767116 |
1 |
SN2O4C23H24 |
AB2C4D23E24 |
-98.55 |
10.44 |
-8.88 |
-0.67 |
0 |
|
|
121415 |
50767181 |
1 |
SN4O4C25H32 |
AB4C4D25E32 |
-112.73 |
6.22 |
-8.89 |
-0.89 |
0 |
|
|
121416 |
50767191 |
1 |
SN3O4C25H33 |
AB3C4D25E33 |
-140.66 |
13.75 |
-8.78 |
-0.73 |
0 |
|
|
121417 |
50767242 |
1 |
O3N4H16C19 |
A3B4C16D19 |
-8.41 |
3.51 |
-8.86 |
-1.16 |
0 |
|
|
121418 |
50767283 |
1 |
ClO2N3H14C17 |
AB2C3D14E17 |
14.57 |
7.17 |
-9.17 |
-1.23 |
0 |
|
|
121419 |
50767328 |
1 |
FO3N4H23C24 |
AB3C4D23E24 |
-47.24 |
7.36 |
-9.1 |
-1.03 |
0 |
|
|
121420 |
50767384 |
1 |
N4O5C24H26 |
A4B5C24D26 |
-99.27 |
6.26 |
-8.28 |
-0.95 |
0 |
|
|
121421 |
50767630 |
1 |
SN3O5C25H31 |
AB3C5D25E31 |
-184.34 |
4.38 |
-8.44 |
-0.85 |
0 |
|
|
121422 |
50767631 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-162.14 |
7.37 |
-9.16 |
-0.53 |
0 |
|
|
121423 |
50767632 |
1 |
SN4O5C25H30 |
AB4C5D25E30 |
-188.52 |
6.89 |
-8.48 |
-0.84 |
0 |
|
|
121424 |
50767669 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-176.45 |
5.33 |
-8.65 |
-0.69 |
0 |
|
|
121425 |
50767670 |
1 |
SN4O4C22H26 |
AB4C4D22E26 |
-122.47 |
4.13 |
-9.33 |
-0.84 |
0 |
|
|
121426 |
50767689 |
1 |
ClSN3O4C23H26 |
ABC3D4E23F26 |
-142.59 |
3.45 |
-9.35 |
-0.74 |
0 |
|
|
121427 |
50767710 |
1 |
SN3O6C24H29 |
AB3C6D24E29 |
-216.05 |
3.19 |
-8.96 |
-0.91 |
0 |
|
|
121428 |
50767828 |
1 |
SN3O4C27H35 |
AB3C4D27E35 |
-156.05 |
5.55 |
-8.8 |
-0.91 |
0 |
|
|
121429 |
50767857 |
1 |
SN3O4C25H37 |
AB3C4D25E37 |
-189.29 |
4.31 |
-9.35 |
-0.8 |
0 |
|
|
121430 |
50767858 |
1 |
SN3O4C24H35 |
AB3C4D24E35 |
-188.82 |
5.41 |
-9.3 |
-0.78 |
0 |
|
|
121431 |
50767859 |
1 |
FSN3O4C25H30 |
ABC3D4E25F30 |
-198.39 |
2.86 |
-8.91 |
-0.93 |
0 |
|
|
121432 |
50767860 |
1 |
SN3O5C26H33 |
AB3C5D26E33 |
-186.76 |
6.73 |
-8.46 |
-0.76 |
0 |
|
|
121433 |
50767861 |
1 |
SN3O5C22H31 |
AB3C5D22E31 |
-198.18 |
7.6 |
-9.18 |
-0.71 |
0 |
|
|
121434 |
50767899 |
1 |
SN3O3C22H35 |
AB3C3D22E35 |
-139.91 |
4.81 |
-8.88 |
-0.38 |
0 |
|
|
121435 |
50767999 |
1 |
SN3O3C21H33 |
AB3C3D21E33 |
-129.98 |
4.77 |
-8.84 |
-0.47 |
0 |
|
|
121436 |
50768000 |
1 |
SO3N4C21H34 |
AB3C4D21E34 |
-111.0 |
9.84 |
-8.59 |
-0.71 |
0 |
|
|
121437 |
50768001 |
1 |
SN3O3C21H33 |
AB3C3D21E33 |
-132.03 |
6.42 |
-8.64 |
-0.57 |
0 |
|
|
121438 |
50768002 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-125.49 |
6.67 |
-8.98 |
-0.52 |
0 |
|
|
121439 |
50768003 |
1 |
SN2O4C22H28 |
AB2C4D22E28 |
-137.97 |
3.3 |
-8.88 |
-0.49 |
0 |
|
|
121440 |
50768004 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-88.54 |
4.34 |
-9.4 |
-0.04 |
0 |
|
|
121441 |
50768084 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-104.14 |
1.18 |
-8.37 |
-0.98 |
0 |
|
|
121442 |
50768154 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-59.34 |
0.43 |
-9.16 |
-1.05 |
0 |
|
|
121443 |
50768268 |
1 |
FO2S2N3H22C24 |
AB2C2D3E22F24 |
-47.23 |
6.21 |
-8.34 |
-1.28 |
0 |
|
|
121444 |
50768269 |
1 |
ClO2S2N3H20C22 |
AB2C2D3E20F22 |
-7.01 |
6.08 |
-8.35 |
-1.31 |
0 |
|
|
121445 |
50768270 |
2 |
ON2C11H12 |
AB2C11D12 |
9.22 |
2.28 |
-8.55 |
-0.8 |
0 |
|
|
121446 |
50768271 |
1 |
ClFSO2N5H19C21 |
ABCD2E5F19G21 |
-40.97 |
2.27 |
-9.0 |
-1.5 |
0 |
|
|
121447 |
50768272 |
1 |
FSO4N5C23H24 |
ABC4D5E23F24 |
-106.68 |
3.3 |
-8.33 |
-1.58 |
0 |
|
|
121448 |
50768273 |
1 |
N3O3H25C27 |
A3B3C25D27 |
-8.78 |
3.2 |
-8.6 |
-0.63 |
0 |
|
|
121449 |
50768274 |
1 |
N3O3H25C27 |
A3B3C25D27 |
-5.82 |
2.31 |
-8.65 |
-0.69 |
0 |
|
|
121450 |
50768378 |
1 |
BrSO2N4C19H23 |
ABC2D4E19F23 |
-24.63 |
4.34 |
-8.37 |
-0.55 |
0 |
|
|
121451 |
50768416 |
1 |
ClN3H12C17 |
AB3C12D17 |
89.93 |
4.12 |
-8.94 |
-1.32 |
0 |
|
|
121452 |
50768549 |
1 |
ClN3H16C19 |
AB3C16D19 |
80.64 |
4.14 |
-8.99 |
-1.14 |
0 |
|
|
121453 |
50768550 |
1 |
ClFN3H11C17 |
ABC3D11E17 |
43.35 |
4.36 |
-9.14 |
-1.26 |
0 |
|
|
121454 |
50768623 |
1 |
SO2N4C22H24 |
AB2C4D22E24 |
13.04 |
7.01 |
-8.2 |
-0.36 |
0 |
|
|
121455 |
50768624 |
1 |
OSN4C25H28 |
ABC4D25E28 |
41.99 |
6.74 |
-8.12 |
-0.25 |
0 |
|
|
121456 |
50768625 |
1 |
SO4N5C25H33 |
AB4C5D25E33 |
-120.72 |
5.93 |
-8.31 |
-0.66 |
0 |
|
|
121457 |
50768626 |
1 |
SO3N4C23H26 |
AB3C4D23E26 |
-28.7 |
3.58 |
-8.39 |
-0.44 |
0 |
|
|
121458 |
50768644 |
1 |
FO2N3H14C18 |
AB2C3D14E18 |
-20.31 |
6.6 |
-9.12 |
-1.44 |
0 |
|
|
121459 |
50768656 |
1 |
ON3H15C18 |
AB3C15D18 |
62.09 |
7.38 |
-8.76 |
-1.06 |
0 |
|
|
121460 |
50768817 |
1 |
SO3N5C22H23 |
AB3C5D22E23 |
-24.49 |
5.76 |
-8.49 |
-1.34 |
0 |
|
|
121461 |
50768981 |
1 |
N5O5H21C22 |
A5B5C21D22 |
-106.02 |
3.05 |
-8.57 |
-1.22 |
0 |