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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
438432 |
135228173 |
1 |
FN4O5C26H29 |
AB4C5D26E29 |
-132.64 |
8.2 |
-8.26 |
-0.92 |
0 |
|
|
438433 |
135228174 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-152.92 |
7.39 |
-8.07 |
-1.0 |
0 |
|
|
438434 |
135228175 |
2 |
NO2C10H12 |
AB2C10D12 |
-111.23 |
6.97 |
-7.98 |
-0.86 |
0 |
|
|
438435 |
135228176 |
1 |
O2N6H22C23 |
A2B6C22D23 |
85.62 |
6.39 |
-8.92 |
-1.2 |
0 |
|
|
438436 |
135228177 |
1 |
ClO2F3N6H22C25 |
AB2C3D6E22F25 |
-81.68 |
3.11 |
-9.59 |
-1.46 |
0 |
|
|
438437 |
135228178 |
2 |
NO2C5H7 |
AB2C5D7 |
-122.47 |
2.48 |
-9.94 |
-1.62 |
0 |
|
|
438438 |
135228179 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-9.58 |
6.45 |
-8.54 |
-0.02 |
0 |
|
|
438439 |
135228180 |
1 |
NC12H23 |
AB12C23 |
-14.72 |
1.37 |
-8.38 |
0.95 |
0 |
|
|
438440 |
135228181 |
1 |
FN3O3H12C14 |
AB3C3D12E14 |
-84.63 |
0.53 |
-9.22 |
-1.04 |
0 |
|
|
438441 |
135228182 |
1 |
ClN4O6C15H19 |
AB4C6D15E19 |
-143.1 |
5.61 |
-9.37 |
-1.13 |
0 |
|
|
438442 |
135228183 |
1 |
NO2F3C9H10 |
AB2C3D9E10 |
-217.39 |
2.92 |
-9.12 |
-0.77 |
0 |
|
|
438443 |
135228184 |
1 |
BrO2N5C16H16 |
AB2C5D16E16 |
28.39 |
4.89 |
-9.11 |
-1.08 |
0 |
|
|
438444 |
135228185 |
1 |
FO2N3C14H16 |
AB2C3D14E16 |
-43.95 |
6.52 |
-8.96 |
-0.5 |
0 |
|
|
438445 |
135228186 |
1 |
ClFO2N6H24C25 |
ABC2D6E24F25 |
29.15 |
4.85 |
-9.53 |
-1.41 |
0 |
|
|
438446 |
135228187 |
1 |
N2P2O8C17H18 |
A2B2C8D17E18 |
-380.53 |
5.0 |
-9.55 |
-0.81 |
0 |
|
|
438447 |
135228188 |
1 |
N2P2O8C17H18 |
A2B2C8D17E18 |
-381.73 |
4.26 |
-9.64 |
-1.18 |
0 |
|
|
438448 |
135228189 |
1 |
N2P2O8C17H18 |
A2B2C8D17E18 |
-380.67 |
6.66 |
-9.61 |
-1.08 |
0 |
|
|
438449 |
135228190 |
1 |
N2P2O8C17H18 |
A2B2C8D17E18 |
-380.91 |
5.45 |
-9.24 |
-0.83 |
0 |
|
|
438450 |
135228191 |
2 |
NPO4C6H9 |
ABC4D6E9 |
-411.99 |
3.86 |
-8.9 |
-0.72 |
0 |
|
|
438451 |
135228192 |
1 |
N2P2O8C13H20 |
A2B2C8D13E20 |
-415.02 |
3.81 |
-8.63 |
-0.54 |
0 |
|
|
438452 |
135228193 |
2 |
NPO4C7H11 |
ABC4D7E11 |
-420.91 |
2.8 |
-8.68 |
-0.49 |
0 |
|
|
438453 |
135228194 |
1 |
N2C11H14 |
A2B11C14 |
58.46 |
3.38 |
-8.85 |
-0.17 |
0 |
|
|
438454 |
135228195 |
1 |
N2P2O7C10H14 |
A2B2C7D10E14 |
-362.11 |
3.71 |
-8.82 |
-0.71 |
0 |
|
|
438455 |
135228196 |
1 |
P2N3C6O6H9 |
A2B3C6D6E9 |
-249.78 |
0.96 |
-8.92 |
-1.75 |
0 |
|
|
438456 |
135228197 |
1 |
SN2P2O8C14H22 |
AB2C2D8E14F22 |
-414.63 |
5.33 |
-8.67 |
-0.45 |
0 |
|
|
438457 |
135228198 |
1 |
NOC11H13 |
ABC11D13 |
-14.69 |
1.55 |
-9.3 |
0.29 |
0 |
|
|
438458 |
135228199 |
1 |
ClNOC10H10 |
ABCD10E10 |
-16.48 |
2.47 |
-9.44 |
-0.18 |
0 |
|
|
438459 |
135228200 |
1 |
NOF3H10C11 |
ABC3D10E11 |
-169.69 |
4.12 |
-10.14 |
-0.6 |
0 |
|
|
438460 |
135228201 |
1 |
N2P2C6O7H10 |
A2B2C6D7E10 |
-377.55 |
2.14 |
-9.25 |
-0.54 |
0 |
|
|
438461 |
135228202 |
1 |
ON2C12H28 |
AB2C12D28 |
-90.98 |
3.3 |
-9.12 |
2.26 |
0 |
|
|
438462 |
135228203 |
1 |
BrN2C10H11 |
AB2C10D11 |
46.05 |
6.13 |
-10.29 |
-1.27 |
0 |
|
|
438463 |
135228204 |
1 |
ON4H10C12 |
AB4C10D12 |
60.42 |
5.47 |
-9.18 |
-1.27 |
0 |
|
|
438464 |
135228205 |
4 |
NC3H4 |
AB3C4 |
42.76 |
5.02 |
-8.25 |
0.0 |
0 |
|
|
438465 |
135228206 |
2 |
N2C6H7 |
A2B6C7 |
58.94 |
2.4 |
-8.89 |
-0.39 |
0 |
|
|
438466 |
135228207 |
1 |
BrClON5C16H17 |
ABCD5E16F17 |
47.31 |
5.96 |
-8.74 |
-0.99 |
0 |
|
|
438467 |
135228208 |
2 |
PO3C8H14 |
AB3C8D14 |
-400.0 |
3.82 |
-9.41 |
0.2 |
0 |
|
|
438468 |
135228209 |
1 |
NOC7H15 |
ABC7D15 |
-36.54 |
3.25 |
-8.86 |
1.8 |
0 |
|
|
438469 |
135228210 |
1 |
NC12H19 |
AB12C19 |
42.52 |
1.86 |
-8.21 |
0.52 |
0 |
|
|
438470 |
135228211 |
1 |
FNOH8C10 |
ABCD8E10 |
-35.62 |
0.97 |
-9.1 |
-0.5 |
0 |
|
|
438471 |
135228212 |
1 |
NOC10H11 |
ABC10D11 |
-3.85 |
2.12 |
-9.38 |
0.24 |
0 |
|
|
438472 |
135228213 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-102.46 |
4.29 |
-8.96 |
-0.88 |
0 |
|
|
438473 |
135228214 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-112.71 |
2.57 |
-8.55 |
-0.44 |
0 |
|
|
438474 |
135228216 |
1 |
ClSO2N3C16H28 |
ABC2D3E16F28 |
-92.68 |
2.82 |
-8.7 |
-0.72 |
0 |
|
|
438475 |
135228217 |
1 |
NOSF3H8C10 |
ABCD3E8F10 |
-164.16 |
7.62 |
-8.97 |
-1.18 |
0 |
|
|
438476 |
135228218 |
1 |
INC9H12 |
ABC9D12 |
41.13 |
4.09 |
-8.63 |
-0.61 |
0 |
|
|
438477 |
135228219 |
1 |
FNOC12H12 |
ABCD12E12 |
-45.76 |
1.14 |
-9.07 |
-0.47 |
0 |
|
|
438478 |
135228220 |
1 |
NO2C11H13 |
AB2C11D13 |
-44.56 |
1.25 |
-9.45 |
0.02 |
0 |
|
|
438479 |
135228221 |
1 |
NOF2H9C10 |
ABC2D9E10 |
-100.75 |
1.43 |
-9.85 |
-0.47 |
0 |
|
|
438480 |
135228222 |
1 |
FNOC12H14 |
ABCD12E14 |
-63.62 |
2.12 |
-9.63 |
-0.11 |
0 |
|
|
438481 |
135228223 |
3 |
NC7H9 |
AB7C9 |
42.57 |
6.53 |
-7.92 |
-0.83 |
0 |
|
|
438482 |
135228224 |
1 |
IN2O2H15C16 |
AB2C2D15E16 |
-43.88 |
8.05 |
-8.95 |
-1.43 |
0 |
|
|
438483 |
135228225 |
1 |
FNOC10H10 |
ABCD10E10 |
-54.33 |
2.33 |
-9.61 |
-0.11 |
0 |
|
|
438484 |
135228226 |
1 |
INO3C15H26 |
ABC3D15E26 |
-172.09 |
1.77 |
-9.51 |
-0.92 |
0 |
|
|
438485 |
135228227 |
1 |
NO6C15H29 |
AB6C15D29 |
-331.63 |
2.84 |
-9.56 |
0.96 |
0 |
|
|
438486 |
135228228 |
1 |
ClO2N6H17C18 |
AB2C6D17E18 |
75.68 |
2.98 |
-9.32 |
-1.26 |
0 |
|
|
438487 |
135228229 |
1 |
ClO2N7H14C17 |
AB2C7D14E17 |
87.55 |
3.99 |
-9.75 |
-1.6 |
0 |
|
|
438488 |
135228230 |
1 |
ClO2N6H13C17 |
AB2C6D13E17 |
65.03 |
3.74 |
-9.45 |
-1.49 |
0 |
|
|
438489 |
135228231 |
1 |
N2C11H26 |
A2B11C26 |
-45.12 |
2.95 |
-8.77 |
3.14 |
0 |
|
|
438490 |
135228232 |
1 |
F3O3N7H14C18 |
A3B3C7D14E18 |
-103.65 |
4.35 |
-9.98 |
-1.8 |
0 |
|
|
438491 |
135228233 |
1 |
ClO2N7H14C17 |
AB2C7D14E17 |
89.36 |
6.15 |
-9.74 |
-1.56 |
0 |
|
|
438492 |
135228234 |
1 |
BrO2N7H14C17 |
AB2C7D14E17 |
100.07 |
4.07 |
-9.78 |
-1.63 |
0 |
|
|
438493 |
135228235 |
3 |
FON2H5C6 |
ABC2D5E6 |
-147.1 |
4.46 |
-9.6 |
-1.48 |
0 |
|
|
438494 |
135228236 |
1 |
O2N7H19C23 |
A2B7C19D23 |
119.1 |
5.49 |
-9.56 |
-1.37 |
0 |
|
|
438495 |
135228237 |
1 |
O2F3N7H14C18 |
A2B3C7D14E18 |
-64.03 |
3.96 |
-10.0 |
-1.9 |
0 |
|
|
438496 |
135228238 |
1 |
ClO2N6C17H17 |
AB2C6D17E17 |
12.17 |
6.76 |
-9.55 |
-1.38 |
0 |
|
|
438497 |
135228239 |
1 |
ClO2N6C18H19 |
AB2C6D18E19 |
56.54 |
1.87 |
-9.18 |
-1.11 |
0 |
|
|
438498 |
135228240 |
1 |
N5O5C25H27 |
A5B5C25D27 |
-60.19 |
7.29 |
-8.2 |
-0.59 |
0 |
|
|
438499 |
135228241 |
1 |
O3N5H15C18 |
A3B5C15D18 |
52.6 |
5.04 |
-9.42 |
-1.38 |
0 |
|
|
438500 |
135228242 |
1 |
BrO3N5C17H18 |
AB3C5D17E18 |
-3.43 |
6.56 |
-9.26 |
-1.08 |
0 |
|
|
438501 |
135228243 |
1 |
N4O5C21H22 |
A4B5C21D22 |
-83.71 |
11.37 |
-8.88 |
-1.32 |
0 |
|
|
438502 |
135228244 |
1 |
NO2C13H17 |
AB2C13D17 |
-56.7 |
2.15 |
-8.75 |
0.24 |
0 |
|
|
438503 |
135228245 |
1 |
NO2C11H13 |
AB2C11D13 |
-43.72 |
1.7 |
-9.2 |
0.05 |
0 |
|
|
438504 |
135228246 |
1 |
ClO2N6H15C17 |
AB2C6D15E17 |
47.81 |
4.08 |
-9.57 |
-1.38 |
0 |
|
|
438505 |
135228247 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-46.71 |
3.44 |
-7.82 |
0.3 |
0 |
|
|
438506 |
135228248 |
1 |
ClON5H14C17 |
ABC5D14E17 |
90.89 |
4.54 |
-9.21 |
-1.35 |
0 |
|
|
438507 |
135228249 |
1 |
ClO2N6C25H25 |
AB2C6D25E25 |
74.96 |
5.09 |
-9.1 |
-1.38 |
0 |
|
|
438508 |
135228250 |
1 |
ClO2N6C19H19 |
AB2C6D19E19 |
34.9 |
5.48 |
-9.47 |
-1.32 |
0 |
|
|
438509 |
135228251 |
1 |
FSO2N4H17C20 |
ABC2D4E17F20 |
7.49 |
5.04 |
-9.23 |
-0.96 |
0 |
|
|
438510 |
135228252 |
1 |
FON6H13C14 |
ABC6D13E14 |
78.12 |
4.19 |
-8.68 |
-0.91 |
0 |
|
|
438511 |
135228253 |
1 |
BrO2N6C19H21 |
AB2C6D19E21 |
34.44 |
3.54 |
-7.95 |
-0.79 |
0 |
|
|
438512 |
135228254 |
1 |
ClO2N4C12H15 |
AB2C4D12E15 |
-21.71 |
2.84 |
-8.8 |
-0.39 |
0 |
|
|
438513 |
135228255 |
1 |
ClON6H15C17 |
ABC6D15E17 |
88.64 |
3.91 |
-9.52 |
-1.57 |
0 |
|
|
438514 |
135228256 |
1 |
BrO3N5C16H18 |
AB3C5D16E18 |
-34.3 |
6.02 |
-8.81 |
-0.77 |
0 |
|
|
438515 |
135228257 |
1 |
ClO2N6H13C17 |
AB2C6D13E17 |
69.18 |
3.55 |
-9.39 |
-1.39 |
0 |
|
|
438516 |
135228258 |
2 |
ON4H7C9 |
AB4C7D9 |
130.55 |
4.34 |
-10.0 |
-1.93 |
0 |
|
|
438517 |
135228259 |
1 |
F3O3N6H13C18 |
A3B3C6D13E18 |
-127.81 |
4.1 |
-9.46 |
-1.53 |
0 |
|
|
438518 |
135228260 |
1 |
O2F3N6H15C18 |
A2B3C6D15E18 |
-105.53 |
5.15 |
-9.73 |
-1.72 |
0 |
|
|
438519 |
135228261 |
1 |
O2N5C10H21 |
A2B5C10D21 |
-99.6 |
6.28 |
-9.46 |
0.66 |
0 |
|
|
438520 |
135228262 |
1 |
SN3O4C11H21 |
AB3C4D11E21 |
-193.94 |
4.85 |
-9.44 |
-0.53 |
0 |
|
|
438521 |
135228263 |
1 |
S3O8N11C33H59 |
A3B8C11D33E59 |
-393.2 |
6.06 |
-8.76 |
0.06 |
0 |
|
|
438522 |
135228264 |
1 |
O2F3N6H13C18 |
A2B3C6D13E18 |
-86.59 |
4.8 |
-9.6 |
-1.78 |
0 |
|
|
438523 |
135228265 |
1 |
NOH13C14 |
ABC13D14 |
11.26 |
1.33 |
-8.89 |
-0.5 |
0 |
|
|
438524 |
135228266 |
1 |
NOF3H10C11 |
ABC3D10E11 |
-168.56 |
3.22 |
-10.1 |
-0.6 |
0 |
|
|
438525 |
135228267 |
1 |
NOF3H8C10 |
ABC3D8E10 |
-157.84 |
3.32 |
-10.24 |
-0.7 |
0 |
|
|
438526 |
135228268 |
1 |
FON6C18H19 |
ABC6D18E19 |
57.68 |
5.13 |
-9.02 |
-1.08 |
0 |
|
|
438527 |
135228269 |
1 |
FNOSH8C9 |
ABCDE8F9 |
-49.8 |
6.22 |
-8.88 |
-0.84 |
0 |
|
|
438528 |
135228271 |
1 |
NO2C11H13 |
AB2C11D13 |
-46.87 |
2.41 |
-8.76 |
0.22 |
0 |
|
|
438529 |
135228272 |
1 |
ClFO2N6C26H26 |
ABC2D6E26F26 |
20.09 |
4.1 |
-9.42 |
-1.43 |
0 |
|
|
438530 |
135228273 |
1 |
N5C14H17 |
A5B14C17 |
79.56 |
5.57 |
-8.59 |
-0.31 |
0 |
|
|
438531 |
135228274 |
1 |
BrN3C16H16 |
AB3C16D16 |
107.93 |
3.09 |
-8.62 |
-0.52 |
0 |