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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
77352 |
48426232 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-28.45 |
5.29 |
-9.49 |
-0.73 |
0 |
|
|
77353 |
48426241 |
1 |
SN4O5C17H28 |
AB4C5D17E28 |
-191.26 |
5.83 |
-9.59 |
-0.55 |
0 |
|
|
77354 |
48426243 |
1 |
ClN2O2C16H21 |
AB2C2D16E21 |
-82.83 |
2.26 |
-9.35 |
-0.66 |
0 |
|
|
77355 |
48426244 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-16.87 |
2.06 |
-9.27 |
-0.85 |
0 |
|
|
77356 |
48426247 |
2 |
NO2C10H15 |
AB2C10D15 |
-156.85 |
3.25 |
-8.41 |
-0.54 |
0 |
|
|
77357 |
48426249 |
1 |
SN2O2C17H26 |
AB2C2D17E26 |
-101.46 |
1.07 |
-8.88 |
-0.51 |
0 |
|
|
77358 |
48426251 |
2 |
NOSC8H11 |
ABCD8E11 |
-73.1 |
1.32 |
-9.06 |
-0.61 |
0 |
|
|
77359 |
48426262 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-87.61 |
1.43 |
-9.18 |
-0.64 |
0 |
|
|
77360 |
48426267 |
1 |
ClSN2O2C15H21 |
ABC2D2E15F21 |
-90.41 |
5.18 |
-8.85 |
-0.31 |
0 |
|
|
77361 |
48426271 |
1 |
ClN3O3C16H22 |
AB3C3D16E22 |
-133.38 |
5.52 |
-9.66 |
-0.53 |
0 |
|
|
77362 |
48426290 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-104.82 |
1.54 |
-8.86 |
-0.42 |
0 |
|
|
77363 |
48426291 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-112.31 |
4.33 |
-8.53 |
0.65 |
0 |
|
|
77364 |
48426303 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-195.6 |
4.46 |
-9.4 |
0.7 |
0 |
|
|
77365 |
48426598 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-76.4 |
2.59 |
-9.48 |
-0.98 |
0 |
|
|
77366 |
48426657 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-167.76 |
5.15 |
-9.3 |
-0.71 |
0 |
|
|
77367 |
48426670 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-165.13 |
5.23 |
-9.12 |
-0.28 |
0 |
|
|
77368 |
48426704 |
1 |
N3O3C20H33 |
A3B3C20D33 |
-181.84 |
6.17 |
-9.71 |
0.75 |
0 |
|
|
77369 |
48426873 |
1 |
FO3N4C16H23 |
AB3C4D16E23 |
-172.06 |
5.23 |
-9.63 |
-0.12 |
0 |
|
|
77370 |
48426945 |
2 |
NO2C8H12 |
AB2C8D12 |
-166.45 |
3.93 |
-8.69 |
0.08 |
0 |
|
|
77371 |
48426948 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-127.4 |
3.91 |
-9.05 |
-0.28 |
0 |
|
|
77372 |
48426950 |
1 |
SN3O4C13H25 |
AB3C4D13E25 |
-200.5 |
5.73 |
-9.5 |
0.66 |
0 |
|
|
77373 |
48427038 |
1 |
OSF3N5C18H24 |
ABC3D5E18F24 |
-136.87 |
9.94 |
-9.09 |
-0.73 |
0 |
|
|
77374 |
48427116 |
1 |
F3O3N5C17H20 |
A3B3C5D17E20 |
-138.86 |
11.57 |
-9.56 |
-1.06 |
0 |
|
|
77375 |
48427120 |
1 |
ON2F3C16H23 |
AB2C3D16E23 |
-202.33 |
4.78 |
-9.1 |
-0.59 |
0 |
|
|
77376 |
48427246 |
1 |
NO2C18H25 |
AB2C18D25 |
-37.77 |
3.36 |
-9.38 |
0.06 |
0 |
|
|
77377 |
48427248 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-11.07 |
7.68 |
-8.6 |
-0.2 |
0 |
|
|
77378 |
48427249 |
1 |
N2O2H20C21 |
A2B2C20D21 |
43.65 |
1.29 |
-9.24 |
-0.29 |
0 |
|
|
77379 |
48427254 |
1 |
ON3C18H21 |
AB3C18D21 |
60.08 |
3.56 |
-9.1 |
0.06 |
0 |
|
|
77380 |
48427295 |
2 |
NOH9C10 |
ABC9D10 |
50.09 |
5.94 |
-9.37 |
-0.87 |
0 |
|
|
77381 |
48427296 |
2 |
NOC10H13 |
ABC10D13 |
-36.05 |
4.79 |
-9.38 |
-0.1 |
0 |
|
|
77382 |
48427392 |
1 |
NO2C20H21 |
AB2C20D21 |
8.53 |
3.81 |
-8.72 |
0.3 |
0 |
|
|
77383 |
48427395 |
2 |
NOH10C11 |
ABC10D11 |
45.26 |
3.42 |
-9.1 |
-0.74 |
0 |
|
|
77384 |
48427431 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-73.39 |
6.79 |
-9.25 |
0.1 |
0 |
|
|
77385 |
48427434 |
1 |
N2O2C19H22 |
A2B2C19D22 |
1.43 |
7.39 |
-9.33 |
0.02 |
0 |
|
|
77386 |
48427447 |
1 |
SN2O4C20H24 |
AB2C4D20E24 |
-105.89 |
9.9 |
-9.38 |
-0.06 |
0 |
|
|
77387 |
48427633 |
1 |
O2N3H21C22 |
A2B3C21D22 |
58.6 |
6.23 |
-9.48 |
-0.96 |
0 |
|
|
77388 |
48427687 |
3 |
NOC7H9 |
ABC7D9 |
-73.58 |
3.91 |
-9.12 |
0.15 |
0 |
|
|
77389 |
48427734 |
1 |
N2O2C21H22 |
A2B2C21D22 |
4.07 |
4.48 |
-9.2 |
-0.2 |
0 |
|
|
77390 |
48428041 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-30.8 |
2.87 |
-8.74 |
-0.42 |
0 |
|
|
77391 |
48428179 |
1 |
OS3N4C16H22 |
AB3C4D16E22 |
12.17 |
4.61 |
-8.67 |
-0.56 |
0 |
|
|
77392 |
48428190 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-73.94 |
0.7 |
-8.61 |
-0.19 |
0 |
|
|
77393 |
48428218 |
1 |
SO2N4C14H20 |
AB2C4D14E20 |
-52.23 |
5.32 |
-8.84 |
-0.47 |
0 |
|
|
77394 |
48428298 |
1 |
SO2N6C18H20 |
AB2C6D18E20 |
21.5 |
3.7 |
-8.89 |
-1.3 |
0 |
|
|
77395 |
48428299 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-27.94 |
1.78 |
-8.56 |
-0.16 |
0 |
|
|
77396 |
48428300 |
1 |
SO2N3C23H25 |
AB2C3D23E25 |
-5.9 |
3.3 |
-8.64 |
-0.23 |
0 |
|
|
77397 |
48428303 |
1 |
OSF3N5C14H16 |
ABC3D5E14F16 |
-120.17 |
4.11 |
-8.88 |
-0.41 |
0 |
|
|
77398 |
48428354 |
1 |
OS2N7C16H23 |
AB2C7D16E23 |
62.07 |
5.09 |
-8.75 |
-0.82 |
0 |
|
|
77399 |
48428586 |
2 |
OSN2C7H10 |
ABC2D7E10 |
-54.61 |
5.01 |
-8.87 |
-0.42 |
0 |
|
|
77400 |
48428587 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-62.95 |
6.33 |
-8.5 |
-0.12 |
0 |
|
|
77401 |
48428588 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-65.12 |
8.54 |
-8.49 |
-0.12 |
0 |
|
|
77402 |
48428589 |
1 |
OS2F3N3C16H16 |
AB2C3D3E16F16 |
-139.89 |
3.42 |
-8.81 |
-1.44 |
0 |
|
|
77403 |
48428590 |
1 |
OSN5C20H31 |
ABC5D20E31 |
-10.26 |
4.27 |
-8.69 |
-0.25 |
0 |
|
|
77404 |
48428591 |
1 |
BrFOSN3C15H15 |
ABCDE3F15G15 |
-23.88 |
3.86 |
-8.86 |
-0.72 |
0 |
|
|
77405 |
48428594 |
1 |
ClOS2N4C19H19 |
ABC2D4E19F19 |
39.57 |
3.09 |
-8.47 |
-1.5 |
0 |
|
|
77406 |
48428595 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
-16.62 |
4.72 |
-8.55 |
-0.86 |
0 |
|
|
77407 |
48428761 |
1 |
OSCl2N3C15H15 |
ABC2D3E15F15 |
3.09 |
2.68 |
-8.82 |
-0.78 |
0 |
|
|
77408 |
48428979 |
1 |
FOSN3C17H18 |
ABCD3E17F18 |
-11.76 |
6.51 |
-8.65 |
-0.31 |
0 |
|
|
77409 |
48429111 |
1 |
OSN4C16H20 |
ABC4D16E20 |
15.04 |
4.08 |
-8.63 |
-0.2 |
0 |
|
|
77410 |
48429115 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
-11.6 |
5.48 |
-8.89 |
-0.63 |
0 |
|
|
77411 |
48429116 |
1 |
FO2S2N3C18H20 |
AB2C2D3E18F20 |
-68.03 |
7.61 |
-8.93 |
-0.92 |
0 |
|
|
77412 |
48429144 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-114.61 |
6.46 |
-8.66 |
-0.07 |
0 |
|
|
77413 |
48429175 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-167.76 |
7.73 |
-8.41 |
-0.54 |
0 |
|
|
77414 |
48429266 |
1 |
SN2F3O4C17H17 |
AB2C3D4E17F17 |
-288.06 |
3.54 |
-8.77 |
-0.8 |
0 |
|
|
77415 |
48429275 |
1 |
ClN2S2O3C15H17 |
AB2C2D3E15F17 |
-98.14 |
6.36 |
-8.65 |
-0.61 |
0 |
|
|
77416 |
48429436 |
1 |
SN2O4C15H22 |
AB2C4D15E22 |
-177.39 |
6.99 |
-8.41 |
0.18 |
0 |
|
|
77417 |
48429642 |
1 |
SN3O5C18H23 |
AB3C5D18E23 |
-173.49 |
5.97 |
-8.45 |
-0.75 |
0 |
|
|
77418 |
48429694 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-138.82 |
6.65 |
-8.57 |
-0.01 |
0 |
|
|
77419 |
48429963 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-106.84 |
7.1 |
-8.52 |
-0.36 |
0 |
|
|
77420 |
48430013 |
1 |
SN2O5C17H18 |
AB2C5D17E18 |
-157.65 |
9.45 |
-8.78 |
-0.76 |
0 |
|
|
77421 |
48430111 |
1 |
N2S2O3C17H20 |
A2B2C3D17E20 |
-96.94 |
7.96 |
-8.79 |
-0.71 |
0 |
|
|
77422 |
48430114 |
1 |
ClSN2O4C17H19 |
ABC2D4E17F19 |
-141.69 |
3.92 |
-8.66 |
-0.5 |
0 |
|
|
77423 |
48430119 |
1 |
SN2O4C19H24 |
AB2C4D19E24 |
-144.43 |
7.44 |
-8.52 |
-0.49 |
0 |
|
|
77424 |
48430124 |
1 |
SN2O5C17H20 |
AB2C5D17E20 |
-166.0 |
7.22 |
-8.43 |
-0.75 |
0 |
|
|
77425 |
48430138 |
1 |
SN2O5C19H24 |
AB2C5D19E24 |
-172.19 |
5.54 |
-8.42 |
-0.01 |
0 |
|
|
77426 |
48430234 |
1 |
SN3O5C19H29 |
AB3C5D19E29 |
-234.05 |
6.73 |
-8.86 |
-0.17 |
0 |
|
|
77427 |
48430374 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-177.89 |
3.91 |
-8.89 |
-0.18 |
0 |
|
|
77428 |
48430519 |
1 |
BrON3C19H24 |
ABC3D19E24 |
-6.57 |
6.52 |
-9.2 |
0.02 |
0 |
|
|
77429 |
48430520 |
1 |
BrNO3C17H24 |
ABC3D17E24 |
-121.62 |
2.98 |
-9.28 |
-0.06 |
0 |
|
|
77430 |
48430615 |
1 |
BrO2N4C19H19 |
AB2C4D19E19 |
-0.79 |
2.97 |
-8.75 |
-0.72 |
0 |
|
|
77431 |
48430630 |
1 |
BrNOC15H20 |
ABCD15E20 |
-47.15 |
5.51 |
-9.21 |
-0.02 |
0 |
|
|
77432 |
48430637 |
1 |
BrSN2O3C15H21 |
ABC2D3E15F21 |
-118.96 |
7.07 |
-9.22 |
0.04 |
0 |
|
|
77433 |
48430913 |
1 |
N3O4C15H27 |
A3B4C15D27 |
-187.46 |
8.68 |
-8.83 |
0.64 |
0 |
|
|
77434 |
48431191 |
1 |
ClN2O3C17H25 |
AB2C3D17E25 |
-128.54 |
5.08 |
-9.1 |
-0.12 |
0 |
|
|
77435 |
48431272 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-126.3 |
1.42 |
-9.01 |
-0.54 |
0 |
|
|
77436 |
48431458 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-53.23 |
4.73 |
-9.1 |
-0.77 |
0 |
|
|
77437 |
48431491 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-130.4 |
3.73 |
-8.78 |
-0.49 |
0 |
|
|
77438 |
48431495 |
1 |
Cl2N2O2C17H22 |
A2B2C2D17E22 |
-76.76 |
3.34 |
-9.0 |
-1.0 |
0 |
|
|
77439 |
48431496 |
1 |
N4O4C17H26 |
A4B4C17D26 |
-157.14 |
2.37 |
-8.85 |
-1.1 |
0 |
|
|
77440 |
48431542 |
1 |
BrN2O2C15H21 |
AB2C2D15E21 |
-68.12 |
3.48 |
-9.06 |
-0.74 |
0 |
|
|
77441 |
49635567 |
1 |
ClSN2O3C16H19 |
ABC2D3E16F19 |
-88.15 |
2.36 |
-9.24 |
-0.44 |
0 |
|
|
77442 |
49635568 |
1 |
ClSN3O4C15H22 |
ABC3D4E15F22 |
-161.04 |
5.04 |
-9.24 |
-0.24 |
0 |
|
|
77443 |
49635571 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-90.21 |
5.02 |
-8.64 |
-0.1 |
0 |
|
|
77444 |
49635577 |
1 |
O2N6C19H26 |
A2B6C19D26 |
-31.93 |
4.08 |
-9.05 |
-0.27 |
0 |
|
|
77445 |
49635590 |
2 |
ON2C9H13 |
AB2C9D13 |
-55.17 |
6.64 |
-8.82 |
0.17 |
0 |
|
|
77446 |
49635594 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-100.45 |
5.16 |
-9.14 |
-0.36 |
0 |
|
|
77447 |
49635598 |
1 |
FO2N4C21H23 |
AB2C4D21E23 |
-50.7 |
6.49 |
-9.04 |
-0.23 |
0 |
|
|
77448 |
49635600 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-132.89 |
3.73 |
-9.44 |
-0.38 |
0 |
|
|
77449 |
49635605 |
1 |
SN2O3C23H26 |
AB2C3D23E26 |
-57.01 |
6.56 |
-8.91 |
-0.43 |
0 |
|
|
77450 |
49635607 |
1 |
SN3O4C19H25 |
AB3C4D19E25 |
-129.79 |
1.25 |
-9.1 |
-0.25 |
0 |
|
|
77451 |
49635610 |
1 |
S2N3O4C18H23 |
A2B3C4D18E23 |
-96.99 |
3.54 |
-9.45 |
-0.75 |
0 |