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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279500 |
103844143 |
1 |
O2N3H13C15 |
A2B3C13D15 |
17.5 |
2.51 |
-9.31 |
-1.4 |
0 |
|
|
279501 |
103844145 |
2 |
ON2C7H7 |
AB2C7D7 |
24.46 |
6.5 |
-9.68 |
-1.02 |
0 |
|
|
279502 |
103844155 |
1 |
FNO4H12C14 |
ABC4D12E14 |
-84.14 |
4.47 |
-9.6 |
-1.42 |
0 |
|
|
279503 |
103844157 |
1 |
ClFNO2H11C13 |
ABCD2E11F13 |
-79.43 |
1.65 |
-9.27 |
-0.88 |
0 |
|
|
279504 |
103844160 |
1 |
SN3O4H11C13 |
AB3C4D11E13 |
4.83 |
5.14 |
-9.46 |
-1.63 |
0 |
|
|
279505 |
103844161 |
1 |
N3O4C12H13 |
A3B4C12D13 |
-23.48 |
8.62 |
-9.59 |
-0.86 |
0 |
|
|
279506 |
103844163 |
1 |
SN3C10H15 |
AB3C10D15 |
43.43 |
3.51 |
-9.0 |
-0.73 |
0 |
|
|
279507 |
103844165 |
1 |
N5C14H17 |
A5B14C17 |
110.17 |
7.07 |
-9.49 |
-0.8 |
0 |
|
|
279508 |
103844167 |
1 |
N3C11H15 |
A3B11C15 |
44.96 |
2.7 |
-8.87 |
-0.32 |
0 |
|
|
279509 |
103844168 |
1 |
BrSN3C9H12 |
ABC3D9E12 |
57.04 |
4.98 |
-9.12 |
-1.06 |
0 |
|
|
279510 |
103844178 |
1 |
N3C13H19 |
A3B13C19 |
24.01 |
3.54 |
-9.07 |
-0.04 |
0 |
|
|
279511 |
103844179 |
1 |
N3C11H15 |
A3B11C15 |
41.16 |
1.06 |
-8.96 |
-0.05 |
0 |
|
|
279512 |
103844180 |
2 |
N2C6H9 |
A2B6C9 |
24.4 |
2.46 |
-8.78 |
0.39 |
0 |
|
|
279513 |
103844190 |
1 |
N2C13H18 |
A2B13C18 |
22.53 |
1.29 |
-8.38 |
0.19 |
0 |
|
|
279514 |
103844194 |
1 |
FN2O2C13H15 |
AB2C2D13E15 |
-30.45 |
8.99 |
-9.1 |
-1.14 |
0 |
|
|
279515 |
103844196 |
1 |
O2N4C13H14 |
A2B4C13D14 |
54.9 |
7.44 |
-9.8 |
-1.53 |
0 |
|
|
279516 |
103844197 |
1 |
O2N3C12H15 |
A2B3C12D15 |
19.59 |
4.79 |
-9.27 |
-1.16 |
0 |
|
|
279517 |
103844201 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-93.09 |
6.33 |
-9.01 |
-0.24 |
0 |
|
|
279518 |
103844208 |
1 |
ClN2C12H15 |
AB2C12D15 |
21.93 |
4.81 |
-8.87 |
-0.24 |
0 |
|
|
279519 |
103844209 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-29.53 |
5.3 |
-9.15 |
-0.77 |
0 |
|
|
279520 |
103844217 |
1 |
SN2C12H18 |
AB2C12D18 |
20.0 |
2.21 |
-8.43 |
0.04 |
0 |
|
|
279521 |
103844219 |
1 |
O2N3C13H17 |
A2B3C13D17 |
10.03 |
8.18 |
-9.34 |
-0.96 |
0 |
|
|
279522 |
103844221 |
1 |
NSF2O2C14H17 |
ABC2D2E14F17 |
-156.67 |
8.61 |
-9.0 |
-0.31 |
0 |
|
|
279523 |
103844226 |
1 |
ON3C15H21 |
AB3C15D21 |
-20.06 |
3.22 |
-8.95 |
-0.43 |
0 |
|
|
279524 |
103844228 |
1 |
N2C13H18 |
A2B13C18 |
19.6 |
3.02 |
-8.56 |
0.32 |
0 |
|
|
279525 |
103844230 |
1 |
N3C11H15 |
A3B11C15 |
52.16 |
3.93 |
-8.88 |
-0.27 |
0 |
|
|
279526 |
103844231 |
1 |
ON3C12H17 |
AB3C12D17 |
-8.43 |
1.83 |
-8.32 |
-0.31 |
0 |
|
|
279527 |
103844235 |
1 |
N3C17H17 |
A3B17C17 |
81.18 |
3.44 |
-8.78 |
-1.18 |
0 |
|
|
279528 |
103844239 |
1 |
N2O2C13H16 |
A2B2C13D16 |
10.89 |
6.51 |
-8.91 |
-0.95 |
0 |
|
|
279529 |
103844241 |
1 |
ClN2C12H15 |
AB2C12D15 |
22.34 |
0.89 |
-8.61 |
-0.16 |
0 |
|
|
279530 |
103844246 |
1 |
N4C11H16 |
A4B11C16 |
41.13 |
3.45 |
-8.47 |
0.08 |
0 |
|
|
279531 |
103844249 |
1 |
SN2C12H18 |
AB2C12D18 |
15.36 |
0.73 |
-8.39 |
-0.04 |
0 |
|
|
279532 |
103844250 |
1 |
ClSN2O2C12H15 |
ABC2D2E12F15 |
-59.21 |
4.93 |
-8.94 |
-0.97 |
0 |
|
|
279533 |
103844251 |
1 |
F3N3C14H14 |
A3B3C14D14 |
-96.5 |
1.92 |
-9.36 |
-1.34 |
0 |
|
|
279534 |
103844252 |
1 |
N5C13H17 |
A5B13C17 |
78.28 |
8.16 |
-9.06 |
-0.44 |
0 |
|
|
279535 |
103844253 |
1 |
SN3C12H19 |
AB3C12D19 |
27.69 |
4.02 |
-9.02 |
-0.35 |
0 |
|
|
279536 |
103844264 |
1 |
ClN3C11H14 |
AB3C11D14 |
35.18 |
5.25 |
-9.32 |
-0.48 |
0 |
|
|
279537 |
103844265 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
-54.72 |
5.54 |
-8.92 |
-0.6 |
0 |
|
|
279538 |
103844271 |
1 |
N2F3C13H15 |
A2B3C13D15 |
-130.8 |
3.51 |
-8.99 |
-0.6 |
0 |
|
|
279539 |
103844274 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-32.71 |
3.94 |
-9.23 |
-1.16 |
0 |
|
|
279540 |
103844278 |
1 |
N3C13H15 |
A3B13C15 |
65.44 |
5.22 |
-9.03 |
-0.75 |
0 |
|
|
279541 |
103844279 |
1 |
FN2C12H15 |
AB2C12D15 |
-12.71 |
0.73 |
-8.67 |
-0.08 |
0 |
|
|
279542 |
103844280 |
1 |
N3C13H15 |
A3B13C15 |
66.91 |
8.19 |
-8.93 |
-0.68 |
0 |
|
|
279543 |
103844281 |
2 |
ON2C6H9 |
AB2C6D9 |
-73.25 |
6.2 |
-9.07 |
-0.26 |
0 |
|
|
279544 |
103844282 |
1 |
N3C13H19 |
A3B13C19 |
17.4 |
3.3 |
-8.95 |
0.19 |
0 |
|
|
279545 |
103844289 |
1 |
N5C9H15 |
A5B9C15 |
80.19 |
6.93 |
-9.48 |
-0.08 |
0 |
|
|
279546 |
103844293 |
1 |
SO2N4C12H14 |
AB2C4D12E14 |
54.32 |
4.26 |
-8.9 |
-1.28 |
0 |
|
|
279547 |
103844295 |
1 |
O3N4C13H14 |
A3B4C13D14 |
72.41 |
11.58 |
-9.3 |
-1.92 |
0 |
|
|
279548 |
103844297 |
1 |
BrN2C12H15 |
AB2C12D15 |
35.94 |
4.75 |
-8.78 |
-0.38 |
0 |
|
|
279549 |
103844300 |
1 |
F2N2O3C10H10 |
A2B2C3D10E10 |
-98.97 |
5.7 |
-9.41 |
-1.63 |
0 |
|
|
279550 |
103844304 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-75.13 |
3.05 |
-8.59 |
-0.52 |
0 |
|
|
279551 |
103844305 |
1 |
O3N5C11H17 |
A3B5C11D17 |
-47.97 |
3.17 |
-9.64 |
-1.14 |
0 |
|
|
279552 |
103844306 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-71.39 |
1.33 |
-9.05 |
-0.06 |
0 |
|
|
279553 |
103844307 |
1 |
ClN3O3C13H20 |
AB3C3D13E20 |
-120.93 |
5.26 |
-9.09 |
-0.77 |
0 |
|
|
279554 |
103844312 |
1 |
ON3C12H21 |
AB3C12D21 |
-43.2 |
3.22 |
-9.08 |
-0.06 |
0 |
|
|
279555 |
103844313 |
1 |
ON5C14H21 |
AB5C14D21 |
39.23 |
8.4 |
-9.53 |
-0.86 |
0 |
|
|
279556 |
103844317 |
1 |
BrN3O3C12H18 |
AB3C3D12E18 |
-50.06 |
9.83 |
-9.21 |
-1.1 |
0 |
|
|
279557 |
103844323 |
1 |
ON3C13H23 |
AB3C13D23 |
-51.82 |
2.51 |
-8.89 |
0.17 |
0 |
|
|
279558 |
103844324 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-78.27 |
2.29 |
-8.49 |
-0.45 |
0 |
|
|
279559 |
103844326 |
1 |
ON3C13H23 |
AB3C13D23 |
-46.6 |
2.64 |
-9.11 |
-0.08 |
0 |
|
|
279560 |
103844336 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-105.66 |
5.33 |
-9.03 |
-1.06 |
0 |
|
|
279561 |
103844341 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-14.74 |
6.44 |
-9.86 |
-1.58 |
0 |
|
|
279562 |
103844343 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-50.85 |
5.9 |
-9.61 |
-1.32 |
0 |
|
|
279563 |
103844344 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-57.57 |
10.52 |
-8.88 |
-0.87 |
0 |
|
|
279564 |
103844349 |
1 |
ClON3C14H24 |
ABC3D14E24 |
-60.57 |
4.82 |
-9.0 |
-0.25 |
0 |
|
|
279565 |
103844351 |
1 |
ON2F3C13H19 |
AB2C3D13E19 |
-200.37 |
3.12 |
-9.09 |
-0.68 |
0 |
|
|
279566 |
103844353 |
1 |
ON2C16H22 |
AB2C16D22 |
-24.2 |
1.59 |
-8.57 |
-0.54 |
0 |
|
|
279567 |
103844354 |
1 |
F2N2O3C13H18 |
A2B2C3D13E18 |
-141.82 |
7.77 |
-9.2 |
-1.47 |
0 |
|
|
279568 |
103844359 |
1 |
ON4C14H22 |
AB4C14D22 |
-6.39 |
5.05 |
-8.64 |
-0.38 |
0 |
|
|
279569 |
103844360 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-102.38 |
7.31 |
-8.9 |
-0.55 |
0 |
|
|
279570 |
103844363 |
1 |
O3N4C12H22 |
A3B4C12D22 |
-117.55 |
4.0 |
-8.77 |
-0.61 |
0 |
|
|
279571 |
103844365 |
1 |
OF3N3C12H18 |
AB3C3D12E18 |
-186.55 |
3.52 |
-9.42 |
-0.89 |
0 |
|
|
279572 |
103844367 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-40.23 |
9.22 |
-9.1 |
-1.21 |
0 |
|
|
279573 |
103844368 |
1 |
ClON3C12H20 |
ABC3D12E20 |
-49.82 |
4.57 |
-9.35 |
-0.38 |
0 |
|
|
279574 |
103844371 |
1 |
OSN2C12H22 |
ABC2D12E22 |
-50.4 |
2.21 |
-8.64 |
-0.13 |
0 |
|
|
279575 |
103844373 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-60.74 |
7.21 |
-9.37 |
-1.01 |
0 |
|
|
279576 |
103844379 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-89.91 |
2.98 |
-9.01 |
-0.47 |
0 |
|
|
279577 |
103844382 |
1 |
ClON3C11H18 |
ABC3D11E18 |
-33.4 |
3.51 |
-9.1 |
-0.7 |
0 |
|
|
279578 |
103844384 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-78.72 |
2.97 |
-8.34 |
-0.33 |
0 |
|
|
279579 |
103844386 |
1 |
BrN3O3C12H18 |
AB3C3D12E18 |
-46.18 |
3.94 |
-9.4 |
-1.51 |
0 |
|
|
279580 |
103844387 |
1 |
ON3C17H21 |
AB3C17D21 |
11.45 |
3.37 |
-8.89 |
-1.26 |
0 |
|
|
279581 |
103844388 |
1 |
N3O4C14H21 |
A3B4C14D21 |
-102.91 |
5.02 |
-9.33 |
-1.24 |
0 |
|
|
279582 |
103844389 |
1 |
ClON2F3C13H18 |
ABC2D3E13F18 |
-211.48 |
4.74 |
-9.18 |
-0.8 |
0 |
|
|
279583 |
103844390 |
1 |
O3N4C12H22 |
A3B4C12D22 |
-103.38 |
4.5 |
-9.54 |
-0.01 |
0 |
|
|
279584 |
103844391 |
1 |
ON4C14H22 |
AB4C14D22 |
-4.84 |
1.88 |
-8.88 |
-0.91 |
0 |
|
|
279585 |
103844392 |
1 |
ClON2C12H19 |
ABC2D12E19 |
-48.39 |
2.51 |
-8.69 |
-0.23 |
0 |
|
|
279586 |
103844394 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-119.78 |
4.09 |
-9.17 |
-0.48 |
0 |
|
|
279587 |
103844396 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-74.3 |
2.61 |
-9.03 |
-0.04 |
0 |
|
|
279588 |
103844399 |
1 |
ON4C14H20 |
AB4C14D20 |
6.29 |
2.38 |
-8.85 |
-1.03 |
0 |
|
|
279589 |
103844402 |
1 |
O3N4C12H22 |
A3B4C12D22 |
-49.05 |
5.62 |
-9.29 |
-0.68 |
0 |
|
|
279590 |
103844406 |
1 |
OSN2C14H20 |
ABC2D14E20 |
-22.58 |
2.4 |
-8.46 |
-0.54 |
0 |
|
|
279591 |
103844407 |
1 |
OSN3C12H23 |
ABC3D12E23 |
-42.73 |
2.47 |
-9.08 |
-0.46 |
0 |
|
|
279592 |
103844416 |
1 |
ON3C14H23 |
AB3C14D23 |
-42.36 |
2.73 |
-8.97 |
-0.09 |
0 |
|
|
279593 |
103844419 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-62.28 |
5.83 |
-8.83 |
-1.09 |
0 |
|
|
279594 |
103844420 |
1 |
ClO2N3C12H20 |
AB2C3D12E20 |
-80.97 |
5.1 |
-8.96 |
-0.62 |
0 |
|
|
279595 |
103844425 |
1 |
ON3C16H27 |
AB3C16D27 |
-54.75 |
2.65 |
-8.9 |
0.0 |
0 |
|
|
279596 |
103844433 |
1 |
ON3C13H19 |
AB3C13D19 |
-2.69 |
7.78 |
-9.02 |
-0.77 |
0 |
|
|
279597 |
103844434 |
1 |
O3N4C12H22 |
A3B4C12D22 |
-146.71 |
4.17 |
-9.22 |
-0.42 |
0 |
|
|
279598 |
103844435 |
1 |
OSN3C13H19 |
ABC3D13E19 |
-11.63 |
3.25 |
-8.65 |
-0.81 |
0 |
|
|
279599 |
103844436 |
1 |
BrO2N3C12H20 |
AB2C3D12E20 |
-75.08 |
5.35 |
-9.15 |
-0.66 |
0 |