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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
372292 |
131295621 |
1 |
NOF2C11H15 |
ABC2D11E15 |
-134.4 |
2.09 |
-9.52 |
-0.41 |
0 |
|
|
372293 |
131295653 |
1 |
BrN2O2C10H11 |
AB2C2D10E11 |
-16.48 |
4.01 |
-8.94 |
-0.58 |
0 |
|
|
372294 |
131295665 |
1 |
BrN2O2C10H11 |
AB2C2D10E11 |
-12.84 |
2.91 |
-9.24 |
-0.71 |
0 |
|
|
372295 |
131295721 |
1 |
FO3H11C12 |
AB3C11D12 |
-139.79 |
4.39 |
-9.56 |
-0.86 |
0 |
|
|
372296 |
131295748 |
1 |
ClNO2H8C11 |
ABC2D8E11 |
-21.36 |
5.62 |
-9.59 |
-1.93 |
0 |
|
|
372297 |
131295799 |
1 |
INF2O3H6C9 |
ABC2D3E6F9 |
-100.18 |
5.26 |
-10.38 |
-2.01 |
0 |
|
|
372298 |
131295961 |
1 |
SN2O2C11H12 |
AB2C2D11E12 |
-48.05 |
1.98 |
-8.5 |
-0.98 |
0 |
|
|
372299 |
131295970 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-39.7 |
6.35 |
-10.45 |
-1.47 |
0 |
|
|
372300 |
131295971 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-41.78 |
3.32 |
-10.31 |
-1.11 |
0 |
|
|
372301 |
131295972 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-41.98 |
4.21 |
-10.35 |
-1.19 |
0 |
|
|
372302 |
131295987 |
1 |
N2O3C9H14 |
A2B3C9D14 |
-116.02 |
3.61 |
-9.95 |
0.5 |
0 |
|
|
372303 |
131296025 |
2 |
NOC6H7 |
ABC6D7 |
-50.72 |
4.58 |
-7.79 |
0.18 |
0 |
|
|
372304 |
131296035 |
1 |
ClNF2H2O2C8 |
ABC2D2E2F8 |
-104.8 |
4.04 |
-10.15 |
-1.87 |
0 |
|
|
372305 |
131296040 |
1 |
BrO2F3H6C8 |
AB2C3D6E8 |
-223.58 |
4.55 |
-9.96 |
-1.27 |
0 |
|
|
372306 |
131296048 |
1 |
OBr2F3H5C8 |
AB2C3D5E8 |
-181.1 |
4.32 |
-9.68 |
-1.54 |
0 |
|
|
372307 |
131296068 |
2 |
NO2H4C5 |
AB2C4D5 |
-113.94 |
9.06 |
-9.18 |
-1.31 |
0 |
|
|
372308 |
131296070 |
1 |
ON4C10H12 |
AB4C10D12 |
15.25 |
2.83 |
-8.9 |
-0.72 |
0 |
|
|
372309 |
131296078 |
1 |
ClNF2C11H14 |
ABC2D11E14 |
-101.21 |
2.13 |
-9.58 |
-0.85 |
0 |
|
|
372310 |
131296080 |
1 |
ClSO2N3C9H10 |
ABC2D3E9F10 |
-59.77 |
10.34 |
-8.45 |
-0.84 |
0 |
|
|
372311 |
131296085 |
1 |
NOSC13H15 |
ABCD13E15 |
-6.71 |
3.15 |
-8.79 |
-0.11 |
0 |
|
|
372312 |
131296114 |
1 |
FON2C12H13 |
ABC2D12E13 |
-40.55 |
3.79 |
-9.04 |
-0.88 |
0 |
|
|
372313 |
131296125 |
1 |
N2O2H10C11 |
A2B2C10D11 |
8.29 |
0.68 |
-9.76 |
-1.22 |
0 |
|
|
372314 |
131296129 |
1 |
ClO2N3C10H10 |
AB2C3D10E10 |
10.77 |
6.28 |
-8.9 |
-1.59 |
0 |
|
|
372315 |
131296132 |
1 |
ClN3O3C7H8 |
AB3C3D7E8 |
-35.13 |
2.73 |
-9.49 |
-1.78 |
0 |
|
|
372316 |
131296133 |
2 |
N2O2C3H4 |
A2B2C3D4 |
-81.24 |
9.08 |
-10.44 |
-1.09 |
0 |
|
|
372317 |
131296145 |
1 |
INOF3C9H9 |
ABCD3E9F9 |
-174.64 |
3.58 |
-9.21 |
-0.92 |
0 |
|
|
372318 |
131296161 |
1 |
NF2O2H5C9 |
AB2C2D5E9 |
-114.93 |
2.63 |
-10.18 |
-1.9 |
0 |
|
|
372319 |
131296164 |
1 |
NF2O2H5C9 |
AB2C2D5E9 |
-115.97 |
3.99 |
-10.28 |
-1.81 |
0 |
|
|
372320 |
131296169 |
1 |
NF2O2H5C9 |
AB2C2D5E9 |
-117.22 |
3.83 |
-10.26 |
-1.95 |
0 |
|
|
372321 |
131296172 |
1 |
ClN4C7H7 |
AB4C7D7 |
84.92 |
5.79 |
-9.98 |
-0.66 |
0 |
|
|
372322 |
131296173 |
1 |
NF2O2H5C9 |
AB2C2D5E9 |
-114.56 |
3.86 |
-10.16 |
-1.82 |
0 |
|
|
372323 |
131296178 |
1 |
NF2O2H7C9 |
AB2C2D7E9 |
-130.0 |
5.47 |
-9.41 |
-1.12 |
0 |
|
|
372324 |
131296197 |
1 |
NF2O2H9C10 |
AB2C2D9E10 |
-135.36 |
4.27 |
-9.7 |
-1.14 |
0 |
|
|
372325 |
131296213 |
1 |
NF2O2H9C10 |
AB2C2D9E10 |
-135.8 |
4.84 |
-9.87 |
-1.27 |
0 |
|
|
372326 |
131296215 |
1 |
ClN2C10H15 |
AB2C10D15 |
-1.65 |
1.48 |
-9.61 |
-0.56 |
0 |
|
|
372327 |
131296231 |
2 |
ClOC6H7 |
ABC6D7 |
-89.79 |
2.29 |
-8.89 |
-0.16 |
0 |
|
|
372328 |
131296239 |
2 |
ClOC6H7 |
ABC6D7 |
-91.74 |
2.9 |
-8.99 |
-0.56 |
0 |
|
|
372329 |
131296261 |
1 |
NSO2C11H13 |
ABC2D11E13 |
-74.21 |
4.85 |
-8.39 |
-0.06 |
0 |
|
|
372330 |
131296274 |
1 |
FNO2C12H20 |
ABC2D12E20 |
-151.19 |
2.18 |
-9.0 |
0.7 |
0 |
|
|
372331 |
131296275 |
1 |
NSO3C10H15 |
ABC3D10E15 |
-123.52 |
4.06 |
-8.77 |
0.07 |
0 |
|
|
372332 |
131296288 |
1 |
BrFSN2H8C10 |
ABCD2E8F10 |
8.27 |
4.08 |
-8.61 |
-1.1 |
0 |
|
|
372333 |
131296336 |
1 |
BrFO3C10H10 |
ABC3D10E10 |
-156.92 |
0.77 |
-9.41 |
-0.79 |
0 |
|
|
372334 |
131296346 |
1 |
Cl2O2C11H12 |
A2B2C11D12 |
-83.14 |
3.24 |
-9.03 |
-0.24 |
0 |
|
|
372335 |
131296349 |
1 |
ClO2C11H13 |
AB2C11D13 |
-95.4 |
4.56 |
-9.63 |
-0.39 |
0 |
|
|
372336 |
131296358 |
1 |
ClNOSH10C11 |
ABCDE10F11 |
4.61 |
4.48 |
-8.96 |
-1.33 |
0 |
|
|
372337 |
131296364 |
1 |
BrClOF3H7C10 |
ABCD3E7F10 |
-191.89 |
6.55 |
-9.91 |
-1.52 |
0 |
|
|
372338 |
131296369 |
1 |
OCl2F3H7C10 |
AB2C3D7E10 |
-199.24 |
1.4 |
-10.2 |
-1.14 |
0 |
|
|
372339 |
131296402 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-28.58 |
2.26 |
-9.4 |
-1.67 |
0 |
|
|
372340 |
131296405 |
1 |
NOSH9C12 |
ABCD9E12 |
28.56 |
5.52 |
-9.19 |
-1.14 |
0 |
|
|
372341 |
131296414 |
1 |
NOSH9C12 |
ABCD9E12 |
31.52 |
3.88 |
-9.06 |
-1.16 |
0 |
|
|
372342 |
131296417 |
1 |
OSF3H7C11 |
ABC3D7E11 |
-152.45 |
4.96 |
-9.24 |
-1.3 |
0 |
|
|
372343 |
131296446 |
1 |
ON2F3H7C9 |
AB2C3D7E9 |
-156.13 |
3.13 |
-9.22 |
-0.91 |
0 |
|
|
372344 |
131296455 |
1 |
ON2F3H7C9 |
AB2C3D7E9 |
-153.11 |
5.76 |
-8.91 |
-0.84 |
0 |
|
|
372345 |
131296458 |
1 |
ON2F3H7C9 |
AB2C3D7E9 |
-162.77 |
3.92 |
-9.33 |
-0.53 |
0 |
|
|
372346 |
131296476 |
2 |
O2C5H6 |
A2B5C6 |
-154.0 |
3.21 |
-9.0 |
-0.37 |
0 |
|
|
372347 |
131296499 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-86.62 |
5.06 |
-9.52 |
-0.57 |
0 |
|
|
372348 |
131296507 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-87.14 |
4.49 |
-9.59 |
-0.42 |
0 |
|
|
372349 |
131296514 |
1 |
NSCl3H8C11 |
ABC3D8E11 |
17.69 |
2.85 |
-9.53 |
-1.33 |
0 |
|
|
372350 |
131296523 |
1 |
OSCl2N2H8C10 |
ABC2D2E8F10 |
-3.12 |
3.8 |
-9.85 |
-1.63 |
0 |
|
|
372351 |
131296528 |
1 |
BrClNSH11C12 |
ABCDE11F12 |
34.11 |
2.5 |
-9.31 |
-1.17 |
0 |
|
|
372352 |
131296529 |
1 |
BrClNOSH7C10 |
ABCDEF7G10 |
5.87 |
4.17 |
-10.06 |
-1.7 |
0 |
|
|
372353 |
131296539 |
1 |
BrON2F3H4C8 |
ABC2D3E4F8 |
-141.79 |
7.21 |
-9.45 |
-1.35 |
0 |
|
|
372354 |
131296541 |
1 |
BrON2F3H4C8 |
ABC2D3E4F8 |
-147.73 |
8.32 |
-9.5 |
-0.96 |
0 |
|
|
372355 |
131296542 |
1 |
BrON2F3H4C8 |
ABC2D3E4F8 |
-143.67 |
6.22 |
-9.45 |
-1.16 |
0 |
|
|
372356 |
131296551 |
1 |
BrON3H6C9 |
ABC3D6E9 |
34.56 |
7.91 |
-8.69 |
-0.94 |
0 |
|
|
372357 |
131296556 |
1 |
BrNO2H6C10 |
ABC2D6E10 |
-5.22 |
5.95 |
-9.59 |
-1.45 |
0 |
|
|
372358 |
131296567 |
1 |
BrNO2F3H7C9 |
ABC2D3E7F9 |
-222.77 |
5.12 |
-9.28 |
-1.23 |
0 |
|
|
372359 |
131296576 |
1 |
SO4H10C11 |
AB4C10D11 |
-121.0 |
3.13 |
-8.64 |
-0.89 |
0 |
|
|
372360 |
131296583 |
1 |
SO4H8C10 |
AB4C8D10 |
-125.14 |
1.99 |
-8.72 |
-1.15 |
0 |
|
|
372361 |
131296594 |
1 |
SO4H8C10 |
AB4C8D10 |
-123.56 |
7.51 |
-8.86 |
-0.81 |
0 |
|
|
372362 |
131296597 |
1 |
SO4H8C10 |
AB4C8D10 |
-118.22 |
7.19 |
-8.87 |
-1.2 |
0 |
|
|
372363 |
131296599 |
1 |
SO4H8C10 |
AB4C8D10 |
-118.26 |
5.6 |
-8.84 |
-1.32 |
0 |
|
|
372364 |
131296602 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-104.7 |
2.49 |
-9.23 |
-0.57 |
0 |
|
|
372365 |
131296608 |
1 |
ClNOC11H14 |
ABCD11E14 |
-35.61 |
4.3 |
-9.14 |
-0.08 |
0 |
|
|
372366 |
131296609 |
1 |
ClNOC11H14 |
ABCD11E14 |
-34.97 |
1.68 |
-9.29 |
-0.1 |
0 |
|
|
372367 |
131296615 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-49.23 |
7.27 |
-9.24 |
-0.95 |
0 |
|
|
372368 |
131296617 |
1 |
ClON3C9H10 |
ABC3D9E10 |
-1.07 |
4.78 |
-9.18 |
0.14 |
0 |
|
|
372369 |
131296629 |
1 |
SN2O2C11H14 |
AB2C2D11E14 |
-48.57 |
10.59 |
-8.99 |
-1.41 |
0 |
|
|
372370 |
131296642 |
1 |
ClNO4H6C9 |
ABC4D6E9 |
-49.75 |
1.33 |
-9.93 |
-2.14 |
0 |
|
|
372371 |
131296643 |
1 |
NOS2H9C11 |
ABC2D9E11 |
35.96 |
3.95 |
-9.06 |
-1.36 |
0 |
|
|
372372 |
131296646 |
1 |
O2N4C9H12 |
A2B4C9D12 |
30.05 |
5.77 |
-9.07 |
-1.59 |
0 |
|
|
372373 |
131296650 |
1 |
ON3C9H11 |
AB3C9D11 |
19.86 |
4.42 |
-9.37 |
0.3 |
0 |
|
|
372374 |
131296653 |
1 |
ON3C9H11 |
AB3C9D11 |
40.22 |
2.61 |
-8.58 |
-0.41 |
0 |
|
|
372375 |
131296655 |
1 |
BrO2N3H6C8 |
AB2C3D6E8 |
59.28 |
4.62 |
-9.81 |
-0.88 |
0 |
|
|
372376 |
131296667 |
1 |
SF3N4H7C8 |
AB3C4D7E8 |
-88.72 |
4.89 |
-9.32 |
-0.94 |
0 |
|
|
372377 |
131296679 |
1 |
BrNH10C12 |
ABC10D12 |
83.93 |
3.17 |
-9.86 |
-0.54 |
0 |
|
|
372378 |
131296680 |
1 |
NCl2O2C10H11 |
AB2C2D10E11 |
-82.27 |
1.44 |
-9.86 |
-1.3 |
0 |
|
|
372379 |
131296684 |
1 |
BrNH10C12 |
ABC10D12 |
58.68 |
4.69 |
-9.26 |
-0.94 |
0 |
|
|
372380 |
131296689 |
1 |
ON3H7C11 |
AB3C7D11 |
67.72 |
6.76 |
-9.48 |
-1.08 |
0 |
|
|
372381 |
131296699 |
1 |
ON3C11H13 |
AB3C11D13 |
21.11 |
4.52 |
-8.8 |
-0.01 |
0 |
|
|
372382 |
131296705 |
1 |
ON3C11H13 |
AB3C11D13 |
17.6 |
3.83 |
-9.65 |
-0.26 |
0 |
|
|
372383 |
131296731 |
1 |
SN3C11H11 |
AB3C11D11 |
62.91 |
5.62 |
-8.89 |
-0.85 |
0 |
|
|
372384 |
131296733 |
1 |
SN3C11H11 |
AB3C11D11 |
71.94 |
2.2 |
-8.48 |
-1.2 |
0 |
|
|
372385 |
131296767 |
1 |
NO2H9C11 |
AB2C9D11 |
-21.41 |
4.51 |
-9.02 |
-0.89 |
0 |
|
|
372386 |
131296776 |
1 |
F3O3H7C9 |
A3B3C7D9 |
-259.95 |
6.15 |
-9.96 |
-1.18 |
0 |
|
|
372387 |
131296785 |
1 |
NO3C12H13 |
AB3C12D13 |
-77.49 |
3.89 |
-8.62 |
-0.54 |
0 |
|
|
372388 |
131296808 |
2 |
OC5H7 |
AB5C7 |
-89.06 |
2.43 |
-10.52 |
-0.15 |
0 |
|
|
372389 |
131296843 |
1 |
O2N3C11H13 |
A2B3C11D13 |
9.81 |
4.38 |
-8.76 |
-1.42 |
0 |
|
|
372390 |
131296850 |
1 |
BrFNO2H9C10 |
ABCD2E9F10 |
-79.9 |
3.41 |
-9.06 |
-0.66 |
0 |
|
|
372391 |
131296855 |
1 |
BrFNO2H9C10 |
ABCD2E9F10 |
-101.63 |
4.64 |
-8.96 |
-0.52 |
0 |