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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
142234 |
53004483 |
1 |
ON5H17C20 |
AB5C17D20 |
128.93 |
7.19 |
-9.04 |
-1.07 |
0 |
|
|
142235 |
53004587 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-95.46 |
4.73 |
-9.05 |
-0.9 |
0 |
|
|
142236 |
53004628 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-43.72 |
7.31 |
-9.28 |
-0.64 |
0 |
|
|
142237 |
53004680 |
1 |
ClSN3O4C20H22 |
ABC3D4E20F22 |
-67.96 |
5.66 |
-9.15 |
-0.54 |
0 |
|
|
142238 |
53004789 |
1 |
SN3O4C22H31 |
AB3C4D22E31 |
-151.96 |
5.38 |
-8.43 |
-0.76 |
0 |
|
|
142239 |
53004997 |
1 |
SN3O4C25H35 |
AB3C4D25E35 |
-168.3 |
7.13 |
-9.13 |
-0.58 |
0 |
|
|
142240 |
53005127 |
1 |
O2N4H24C27 |
A2B4C24D27 |
16.61 |
3.07 |
-8.41 |
-1.08 |
0 |
|
|
142241 |
53005303 |
1 |
ClSN3O5C19H24 |
ABC3D5E19F24 |
-185.45 |
10.92 |
-8.3 |
-0.26 |
0 |
|
|
142242 |
53005318 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-127.28 |
2.91 |
-8.84 |
-0.03 |
0 |
|
|
142243 |
53005812 |
1 |
SN4O5C24H32 |
AB4C5D24E32 |
-188.21 |
8.35 |
-8.18 |
0.22 |
0 |
|
|
142244 |
53006025 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-70.79 |
5.38 |
-9.27 |
-0.9 |
0 |
|
|
142245 |
53006041 |
1 |
SN3O4C24H27 |
AB3C4D24E27 |
-92.15 |
4.48 |
-8.57 |
-0.24 |
0 |
|
|
142246 |
53006042 |
1 |
SN3O3C23H25 |
AB3C3D23E25 |
-57.19 |
2.4 |
-8.63 |
-0.27 |
0 |
|
|
142247 |
53006043 |
1 |
ClSO2N3C22H22 |
ABC2D3E22F22 |
-26.32 |
2.05 |
-8.82 |
-0.56 |
0 |
|
|
142248 |
53006044 |
1 |
ClSO2N3C23H24 |
ABC2D3E23F24 |
-32.64 |
3.31 |
-8.9 |
-0.48 |
0 |
|
|
142249 |
53006045 |
1 |
ClSO2N3C23H24 |
ABC2D3E23F24 |
-35.7 |
5.2 |
-8.7 |
-0.44 |
0 |
|
|
142250 |
53006301 |
1 |
ClSN3O5C23H24 |
ABC3D5E23F24 |
-169.45 |
3.73 |
-9.13 |
-1.52 |
0 |
|
|
142251 |
53006302 |
1 |
ClSN3O5C20H26 |
ABC3D5E20F26 |
-207.07 |
3.75 |
-9.46 |
-1.52 |
0 |
|
|
142252 |
53006303 |
1 |
ClSN3O7H20C21 |
ABC3D7E20F21 |
-223.25 |
4.3 |
-8.26 |
-1.6 |
0 |
|
|
142253 |
53006304 |
1 |
ClSN3O6C17H20 |
ABC3D6E17F20 |
-217.91 |
1.4 |
-9.26 |
-1.45 |
0 |
|
|
142254 |
53006305 |
1 |
ClSN3O5H18C19 |
ABC3D5E18F19 |
-152.6 |
3.59 |
-8.88 |
-1.54 |
0 |
|
|
142255 |
53006660 |
1 |
ON3C16H17 |
AB3C16D17 |
18.35 |
4.66 |
-8.29 |
-0.07 |
0 |
|
|
142256 |
53006661 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-44.55 |
5.17 |
-9.04 |
-0.47 |
0 |
|
|
142257 |
53006662 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-32.36 |
4.54 |
-9.11 |
-0.58 |
0 |
|
|
142258 |
53006663 |
1 |
BrSO2N3C13H16 |
ABC2D3E13F16 |
-29.76 |
3.12 |
-9.28 |
-0.97 |
0 |
|
|
142259 |
53006664 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-43.47 |
4.16 |
-9.08 |
-0.53 |
0 |
|
|
142260 |
53006665 |
1 |
SF2O2N5C12H17 |
AB2C2D5E12F17 |
-127.78 |
3.21 |
-9.14 |
-0.45 |
0 |
|
|
142261 |
53006666 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-40.97 |
4.44 |
-9.13 |
-0.6 |
0 |
|
|
142262 |
53006667 |
1 |
SO2N3C10H19 |
AB2C3D10E19 |
-76.85 |
4.1 |
-9.32 |
0.2 |
0 |
|
|
142263 |
53006668 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-83.65 |
7.99 |
-8.43 |
-0.46 |
0 |
|
|
142264 |
53006669 |
1 |
ClSO2N4C16H23 |
ABC2D4E16F23 |
-48.87 |
5.53 |
-8.53 |
-0.09 |
0 |
|
|
142265 |
53007326 |
1 |
OSN5C19H23 |
ABC5D19E23 |
24.82 |
5.77 |
-9.07 |
-1.41 |
0 |
|
|
142266 |
53007586 |
1 |
SO2N5C23H27 |
AB2C5D23E27 |
4.37 |
6.38 |
-8.49 |
-0.52 |
0 |
|
|
142267 |
53007594 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-45.92 |
1.5 |
-8.15 |
-0.91 |
0 |
|
|
142268 |
53007595 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-51.79 |
3.65 |
-8.74 |
-1.01 |
0 |
|
|
142269 |
53007733 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-124.22 |
3.69 |
-9.68 |
-1.21 |
0 |
|
|
142270 |
53007734 |
4 |
NOC4H5 |
ABC4D5 |
-150.33 |
5.4 |
-9.65 |
-1.2 |
0 |
|
|
142271 |
53007890 |
1 |
ClN2O3H19C23 |
AB2C3D19E23 |
-77.15 |
8.65 |
-9.37 |
-1.2 |
0 |
|
|
142272 |
53007891 |
1 |
SN2O5H18C22 |
AB2C5D18E22 |
-140.23 |
12.11 |
-8.65 |
-1.42 |
0 |
|
|
142273 |
53007892 |
1 |
SN3O3H17C23 |
AB3C3D17E23 |
-32.73 |
10.08 |
-8.81 |
-1.45 |
0 |
|
|
142274 |
53007893 |
1 |
N2O6H22C25 |
A2B6C22D25 |
-179.02 |
8.97 |
-8.11 |
-1.25 |
0 |
|
|
142275 |
53008008 |
1 |
N4O4C23H26 |
A4B4C23D26 |
-75.29 |
6.18 |
-8.42 |
-1.16 |
0 |
|
|
142276 |
53008009 |
1 |
N4O4C25H30 |
A4B4C25D30 |
-86.46 |
6.11 |
-8.57 |
-1.03 |
0 |
|
|
142277 |
53008010 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-31.85 |
4.29 |
-8.75 |
-1.11 |
0 |
|
|
142278 |
53008082 |
1 |
SO2N3C15H17 |
AB2C3D15E17 |
-46.0 |
4.8 |
-8.93 |
-1.3 |
0 |
|
|
142279 |
53008160 |
1 |
S3N4O4C16H18 |
A3B4C4D16E18 |
-95.81 |
9.59 |
-8.5 |
-0.92 |
0 |
|
|
142280 |
53008618 |
1 |
BrFSO2N4H14C16 |
ABCD2E4F14G16 |
-23.6 |
5.48 |
-9.5 |
-0.99 |
0 |
|
|
142281 |
53008621 |
1 |
FSO2N4C19H21 |
ABC2D4E19F21 |
-59.76 |
9.26 |
-9.26 |
-0.4 |
0 |
|
|
142282 |
53008845 |
1 |
SF2N2O2H12C19 |
AB2C2D2E12F19 |
-58.19 |
3.81 |
-9.0 |
-1.41 |
0 |
|
|
142283 |
53008846 |
1 |
SF2N2O2H12C19 |
AB2C2D2E12F19 |
-56.86 |
4.73 |
-8.98 |
-1.38 |
0 |
|
|
142284 |
53009336 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-98.17 |
2.62 |
-8.93 |
-1.02 |
0 |
|
|
142285 |
53009337 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-88.16 |
5.9 |
-8.52 |
-0.88 |
0 |
|
|
142286 |
53010027 |
1 |
ClON5C26H30 |
ABC5D26E30 |
26.42 |
6.52 |
-8.5 |
-0.89 |
0 |
|
|
142287 |
53010288 |
1 |
ON4C20H26 |
AB4C20D26 |
-14.44 |
4.68 |
-8.59 |
-0.32 |
0 |
|
|
142288 |
53010334 |
1 |
FO3N4H23C24 |
AB3C4D23E24 |
-81.99 |
4.33 |
-8.47 |
-0.49 |
0 |
|
|
142289 |
53010787 |
1 |
N2O2H20C21 |
A2B2C20D21 |
-12.72 |
5.46 |
-8.52 |
-0.87 |
0 |
|
|
142290 |
53011041 |
1 |
ClN3O4H20C25 |
AB3C4D20E25 |
-37.84 |
8.3 |
-8.66 |
-0.92 |
0 |
|
|
142291 |
53011042 |
1 |
BrN3O3H20C25 |
AB3C3D20E25 |
7.5 |
4.68 |
-9.1 |
-0.93 |
0 |
|
|
142292 |
53011455 |
1 |
N3O3C24H25 |
A3B3C24D25 |
-78.86 |
8.57 |
-8.95 |
-0.98 |
0 |
|
|
142293 |
53011542 |
1 |
O2N3C23H23 |
A2B3C23D23 |
-4.66 |
4.88 |
-9.7 |
-0.97 |
0 |
|
|
142294 |
53011642 |
1 |
O3N7C24H25 |
A3B7C24D25 |
21.44 |
5.71 |
-9.07 |
-0.96 |
0 |
|
|
142295 |
53011984 |
1 |
N2O5H20C23 |
A2B5C20D23 |
-109.47 |
2.69 |
-8.34 |
-0.82 |
0 |
|
|
142296 |
53012110 |
1 |
O2N5H15C19 |
A2B5C15D19 |
81.14 |
6.42 |
-9.5 |
-1.07 |
0 |
|
|
142297 |
53012151 |
1 |
N3O5H15C18 |
A3B5C15D18 |
-73.22 |
9.17 |
-8.93 |
-0.87 |
0 |
|
|
142298 |
53012297 |
1 |
N3O6C21H23 |
A3B6C21D23 |
-193.15 |
3.43 |
-8.89 |
-0.83 |
0 |
|
|
142299 |
53012472 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-119.87 |
4.31 |
-8.98 |
-0.95 |
0 |
|
|
142300 |
53012547 |
1 |
SN2O3C24H28 |
AB2C3D24E28 |
-66.48 |
7.17 |
-8.06 |
0.03 |
0 |
|
|
142301 |
53013023 |
1 |
SO2N4H22C26 |
AB2C4D22E26 |
25.0 |
5.97 |
-8.37 |
-1.31 |
0 |
|
|
142302 |
53013247 |
1 |
BrN3O3C22H22 |
AB3C3D22E22 |
-57.29 |
5.2 |
-9.1 |
-0.86 |
0 |
|
|
142303 |
53013248 |
1 |
BrN3O3C23H24 |
AB3C3D23E24 |
-61.35 |
4.3 |
-8.92 |
-0.77 |
0 |
|
|
142304 |
53013249 |
1 |
BrO2N3C22H22 |
AB2C3D22E22 |
-25.2 |
2.81 |
-9.14 |
-0.96 |
0 |
|
|
142305 |
53013250 |
1 |
ClO2N4C22H23 |
AB2C4D22E23 |
-21.02 |
4.58 |
-8.55 |
-0.85 |
0 |
|
|
142306 |
53013601 |
1 |
N3O3H15C16 |
A3B3C15D16 |
13.17 |
2.07 |
-8.41 |
-0.98 |
0 |
|
|
142307 |
53013602 |
1 |
ON5H13C14 |
AB5C13D14 |
106.35 |
3.26 |
-8.34 |
-1.56 |
0 |
|
|
142308 |
53013821 |
1 |
ON3C14H21 |
AB3C14D21 |
-30.45 |
4.03 |
-8.61 |
0.28 |
0 |
|
|
142309 |
53014524 |
1 |
FON3C15H16 |
ABC3D15E16 |
-43.69 |
8.52 |
-8.58 |
-0.18 |
0 |
|
|
142310 |
53015312 |
1 |
ON3C15H21 |
AB3C15D21 |
-35.19 |
2.28 |
-8.41 |
-0.18 |
0 |
|
|
142311 |
53015426 |
1 |
NOSC13H17 |
ABCD13E17 |
-19.77 |
3.36 |
-9.01 |
-0.31 |
0 |
|
|
142312 |
53015427 |
1 |
NOSC10H13 |
ABCD10E13 |
-35.42 |
3.27 |
-9.03 |
-0.43 |
0 |
|
|
142313 |
53015685 |
1 |
FO2N3H12C14 |
AB2C3D12E14 |
-17.06 |
2.62 |
-9.96 |
-0.68 |
0 |
|
|
142314 |
53015929 |
1 |
SN2O3C9H18 |
AB2C3D9E18 |
-137.94 |
3.37 |
-9.24 |
0.17 |
0 |
|
|
142315 |
53016259 |
1 |
ON3C16H21 |
AB3C16D21 |
-12.62 |
3.79 |
-8.62 |
-0.28 |
0 |
|
|
142316 |
53016260 |
1 |
N4C11H14 |
A4B11C14 |
41.64 |
1.56 |
-8.39 |
-0.36 |
0 |
|
|
142317 |
53016261 |
1 |
ON4C10H12 |
AB4C10D12 |
13.73 |
6.89 |
-8.7 |
-0.88 |
0 |
|
|
142318 |
53016453 |
1 |
SN3O3C9H19 |
AB3C3D9E19 |
-138.11 |
3.96 |
-9.3 |
0.34 |
0 |
|
|
142319 |
53016763 |
1 |
NO3C15H19 |
AB3C15D19 |
-108.39 |
4.56 |
-8.66 |
0.0 |
0 |
|
|
142320 |
53016764 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-103.38 |
5.31 |
-8.4 |
0.23 |
0 |
|
|
142321 |
53016812 |
1 |
FNOC16H20 |
ABCD16E20 |
-76.49 |
2.23 |
-9.69 |
-0.22 |
0 |
|
|
142322 |
53016892 |
1 |
ON3C13H15 |
AB3C13D15 |
27.39 |
2.36 |
-8.98 |
-0.65 |
0 |
|
|
142323 |
53016893 |
1 |
ON3C14H17 |
AB3C14D17 |
6.54 |
3.78 |
-8.89 |
-0.47 |
0 |
|
|
142324 |
53017047 |
1 |
N3O3C13H15 |
A3B3C13D15 |
-116.52 |
4.24 |
-9.69 |
-1.25 |
0 |
|
|
142325 |
53017196 |
1 |
ClN2O2C13H13 |
AB2C2D13E13 |
-13.73 |
1.26 |
-9.78 |
-0.54 |
0 |
|
|
142326 |
53017216 |
1 |
F2N2O2C13H14 |
A2B2C2D13E14 |
-125.51 |
2.43 |
-9.53 |
-0.86 |
0 |
|
|
142327 |
53017363 |
1 |
FON3C16H18 |
ABC3D16E18 |
-46.79 |
4.48 |
-9.32 |
-0.17 |
0 |
|
|
142328 |
53017717 |
1 |
ClNSO5H20C24 |
ABCD5E20F24 |
-111.28 |
6.65 |
-9.24 |
-0.88 |
0 |
|
|
142329 |
53017820 |
1 |
FNSO4H26C27 |
ABCD4E26F27 |
-139.19 |
7.86 |
-9.59 |
-0.82 |
0 |
|
|
142330 |
53017858 |
1 |
FO5N6H13C20 |
AB5C6D13E20 |
-11.22 |
3.78 |
-9.19 |
-1.29 |
0 |
|
|
142331 |
53017894 |
1 |
ClO3N6H17C22 |
AB3C6D17E22 |
79.32 |
4.42 |
-9.1 |
-1.29 |
0 |
|
|
142332 |
53017895 |
1 |
BrO3N6H17C22 |
AB3C6D17E22 |
83.19 |
3.76 |
-8.97 |
-1.21 |
0 |
|
|
142333 |
53018240 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-6.09 |
4.16 |
-8.46 |
0.09 |
0 |