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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145364 |
53510378 |
1 |
OS2N3H15C17 |
AB2C3D15E17 |
51.35 |
6.23 |
-9.08 |
-0.38 |
0 |
|
|
145365 |
53510618 |
1 |
BrFO2N3C17H23 |
ABC2D3E17F23 |
-124.43 |
2.71 |
-8.73 |
-1.07 |
0 |
|
|
145366 |
53510619 |
1 |
BrNO3C12H16 |
ABC3D12E16 |
-117.84 |
3.9 |
-9.02 |
-0.15 |
0 |
|
|
145367 |
53510620 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-50.46 |
3.68 |
-8.36 |
-0.36 |
0 |
|
|
145368 |
53510951 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-86.25 |
4.73 |
-8.86 |
-0.57 |
0 |
|
|
145369 |
53511118 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-37.76 |
1.74 |
-8.59 |
-0.46 |
0 |
|
|
145370 |
53511291 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-102.07 |
5.0 |
-9.2 |
-0.63 |
0 |
|
|
145371 |
53512606 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
0.79 |
5.68 |
-8.68 |
-1.43 |
0 |
|
|
145372 |
53512607 |
2 |
NO2C9H11 |
AB2C9D11 |
-133.33 |
3.12 |
-8.58 |
0.25 |
0 |
|
|
145373 |
53512608 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-47.09 |
4.14 |
-9.16 |
-0.57 |
0 |
|
|
145374 |
53512609 |
2 |
ON2C9H9 |
AB2C9D9 |
13.05 |
5.74 |
-8.94 |
-0.75 |
0 |
|
|
145375 |
53512754 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-61.29 |
3.34 |
-8.23 |
0.11 |
0 |
|
|
145376 |
53513193 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-116.28 |
3.66 |
-9.4 |
-1.44 |
0 |
|
|
145377 |
53513194 |
1 |
O3N5C15H21 |
A3B5C15D21 |
-112.13 |
1.36 |
-8.2 |
0.08 |
0 |
|
|
145378 |
53513195 |
1 |
O3N5C15H15 |
A3B5C15D15 |
-61.08 |
11.17 |
-8.99 |
-0.98 |
0 |
|
|
145379 |
53513196 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-6.51 |
1.5 |
-9.66 |
-1.07 |
0 |
|
|
145380 |
53513197 |
1 |
ClO2S2N3H14C16 |
AB2C2D3E14F16 |
-27.57 |
5.0 |
-9.15 |
-1.53 |
0 |
|
|
145381 |
53513737 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-73.12 |
2.27 |
-8.6 |
-0.09 |
0 |
|
|
145382 |
53513841 |
1 |
NS2O3C18H21 |
AB2C3D18E21 |
-86.46 |
6.04 |
-8.5 |
-0.32 |
0 |
|
|
145383 |
53513984 |
1 |
ON3C16H21 |
AB3C16D21 |
-9.88 |
5.1 |
-8.78 |
-0.31 |
0 |
|
|
145384 |
53515090 |
1 |
SN2O3F4H14C17 |
AB2C3D4E14F17 |
-277.69 |
5.03 |
-9.51 |
-1.18 |
0 |
|
|
145385 |
53515191 |
1 |
OSN3C18H29 |
ABC3D18E29 |
-41.74 |
2.96 |
-8.38 |
-0.02 |
0 |
|
|
145386 |
53515192 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-146.3 |
1.54 |
-8.78 |
-0.01 |
0 |
|
|
145387 |
53515366 |
1 |
ClFNOSH15C19 |
ABCDEF15G19 |
-23.35 |
3.28 |
-9.12 |
-0.37 |
0 |
|
|
145388 |
53515367 |
1 |
ON5H15C17 |
AB5C15D17 |
44.79 |
3.19 |
-8.82 |
-0.84 |
0 |
|
|
145389 |
53515422 |
1 |
Cl2N2O3C14H16 |
A2B2C3D14E16 |
-127.37 |
3.23 |
-9.43 |
-0.61 |
0 |
|
|
145390 |
53515423 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-51.48 |
1.45 |
-8.84 |
-0.92 |
0 |
|
|
145391 |
53515424 |
1 |
SN4O4C13H16 |
AB4C4D13E16 |
-97.23 |
9.97 |
-9.13 |
-0.28 |
0 |
|
|
145392 |
53515425 |
1 |
OS2N6C12H12 |
AB2C6D12E12 |
92.69 |
8.39 |
-9.39 |
-1.73 |
0 |
|
|
145393 |
53515426 |
1 |
F2O2N3H13C15 |
A2B2C3D13E15 |
-95.65 |
3.51 |
-9.56 |
-0.97 |
0 |
|
|
145394 |
53515427 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-72.58 |
3.59 |
-8.61 |
-0.03 |
0 |
|
|
145395 |
53515889 |
1 |
SN4O4H22C25 |
AB4C4D22E25 |
-60.14 |
9.36 |
-9.34 |
-0.99 |
0 |
|
|
145396 |
53515951 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-23.98 |
3.56 |
-9.02 |
-1.32 |
0 |
|
|
145397 |
53516105 |
1 |
NO5C17H19 |
AB5C17D19 |
-153.61 |
6.21 |
-8.86 |
-0.3 |
0 |
|
|
145398 |
53516106 |
1 |
NO5C17H19 |
AB5C17D19 |
-151.17 |
6.35 |
-8.91 |
-0.4 |
0 |
|
|
145399 |
53516353 |
1 |
ClSO3N4C15H19 |
ABC3D4E15F19 |
-81.9 |
6.96 |
-9.46 |
-0.93 |
0 |
|
|
145400 |
53516777 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-34.1 |
8.09 |
-9.54 |
-1.63 |
0 |
|
|
145401 |
53516983 |
1 |
OSN5H13C16 |
ABC5D13E16 |
68.28 |
0.81 |
-8.83 |
-1.66 |
0 |
|
|
145402 |
53517151 |
2 |
NOC7H7 |
ABC7D7 |
-18.14 |
1.84 |
-9.2 |
-0.56 |
0 |
|
|
145403 |
53517473 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-42.58 |
2.76 |
-9.54 |
-1.09 |
0 |
|
|
145404 |
53517474 |
1 |
FN2O3H15C18 |
AB2C3D15E18 |
-110.5 |
2.71 |
-8.55 |
-0.44 |
0 |
|
|
145405 |
53517635 |
1 |
F3N3O4H10C12 |
A3B3C4D10E12 |
-289.44 |
1.72 |
-10.1 |
-1.85 |
0 |
|
|
145406 |
53518127 |
2 |
NO2C9H10 |
AB2C9D10 |
-95.72 |
10.78 |
-9.4 |
-0.95 |
0 |
|
|
145407 |
53518140 |
3 |
NOC6H9 |
ABC6D9 |
-110.63 |
1.14 |
-8.31 |
0.09 |
0 |
|
|
145408 |
53518236 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-104.88 |
4.16 |
-9.15 |
-1.03 |
0 |
|
|
145409 |
53518754 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-58.63 |
4.79 |
-9.1 |
0.18 |
0 |
|
|
145410 |
53519083 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-38.44 |
7.56 |
-9.01 |
-0.87 |
0 |
|
|
145411 |
53519410 |
1 |
NSO4H9C14 |
ABC4D9E14 |
-11.71 |
2.52 |
-9.47 |
-1.97 |
0 |
|
|
145412 |
53520242 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-81.61 |
5.58 |
-8.4 |
-0.85 |
0 |
|
|
145413 |
53520558 |
1 |
BrON4C14H19 |
ABC4D14E19 |
15.69 |
3.24 |
-8.86 |
-0.96 |
0 |
|
|
145414 |
53520834 |
1 |
ClOSN2C15H23 |
ABCD2E15F23 |
-50.49 |
4.73 |
-8.79 |
-0.45 |
0 |
|
|
145415 |
53521025 |
1 |
FSN2O3C19H21 |
ABC2D3E19F21 |
-127.97 |
6.62 |
-9.29 |
-0.23 |
0 |
|
|
145416 |
53521026 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-48.01 |
1.79 |
-8.52 |
0.41 |
0 |
|
|
145417 |
53521475 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-161.75 |
4.57 |
-8.86 |
-0.15 |
0 |
|
|
145418 |
53521516 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-113.46 |
2.52 |
-9.08 |
-0.29 |
0 |
|
|
145419 |
53521517 |
1 |
FO2N4C18H25 |
AB2C4D18E25 |
-46.6 |
2.02 |
-8.65 |
-0.14 |
0 |
|
|
145420 |
53521726 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-30.35 |
5.48 |
-9.14 |
-0.63 |
0 |
|
|
145421 |
53521727 |
1 |
OSN4C16H16 |
ABC4D16E16 |
67.53 |
3.45 |
-8.49 |
-0.83 |
0 |
|
|
145422 |
53521728 |
1 |
FN4O4H13C16 |
AB4C4D13E16 |
-18.3 |
6.89 |
-9.47 |
-1.35 |
0 |
|
|
145423 |
53522269 |
1 |
O2N4C11H20 |
A2B4C11D20 |
-40.33 |
4.2 |
-9.63 |
-0.51 |
0 |
|
|
145424 |
53522387 |
1 |
O2N5H15C17 |
A2B5C15D17 |
29.33 |
7.43 |
-9.1 |
-1.06 |
0 |
|
|
145425 |
53522550 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-142.31 |
6.69 |
-8.98 |
-0.11 |
0 |
|
|
145426 |
53522940 |
1 |
BrOSN4C12H13 |
ABCD4E12F13 |
40.45 |
4.31 |
-9.57 |
-1.0 |
0 |
|
|
145427 |
53523396 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-121.42 |
6.88 |
-9.04 |
-0.46 |
0 |
|
|
145428 |
53523599 |
2 |
NO2H8C9 |
AB2C8D9 |
-100.2 |
3.64 |
-8.83 |
-0.58 |
0 |
|
|
145429 |
53523759 |
1 |
OSN2C12H22 |
ABC2D12E22 |
-62.72 |
4.34 |
-8.5 |
0.77 |
0 |
|
|
145430 |
53523943 |
1 |
N5C12H17 |
A5B12C17 |
83.72 |
6.99 |
-9.64 |
-0.84 |
0 |
|
|
145431 |
53524201 |
1 |
ON5C12H23 |
AB5C12D23 |
-15.18 |
5.29 |
-9.0 |
0.15 |
0 |
|
|
145432 |
53524202 |
1 |
OSN5C14H15 |
ABC5D14E15 |
37.14 |
5.22 |
-8.63 |
-0.47 |
0 |
|
|
145433 |
53524224 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-36.3 |
2.65 |
-9.44 |
-0.56 |
0 |
|
|
145434 |
53524427 |
1 |
O3N4C16H16 |
A3B4C16D16 |
-20.44 |
5.65 |
-9.23 |
-0.64 |
0 |
|
|
145435 |
53524671 |
2 |
NO2H8C9 |
AB2C8D9 |
-75.65 |
9.18 |
-8.85 |
-1.17 |
0 |
|
|
145436 |
53524813 |
1 |
NO4C13H19 |
AB4C13D19 |
-141.25 |
1.41 |
-8.3 |
0.09 |
0 |
|
|
145437 |
53524814 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-122.02 |
4.74 |
-8.67 |
-0.28 |
0 |
|
|
145438 |
53524815 |
1 |
ClSN2O3C17H21 |
ABC2D3E17F21 |
-139.12 |
7.85 |
-9.67 |
-0.97 |
0 |
|
|
145439 |
53524816 |
1 |
O3N6C18H22 |
A3B6C18D22 |
14.88 |
11.11 |
-8.66 |
-0.61 |
0 |
|
|
145440 |
53524897 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-52.2 |
7.23 |
-9.75 |
-0.15 |
0 |
|
|
145441 |
53525046 |
1 |
F2N2O2C17H20 |
A2B2C2D17E20 |
-152.47 |
1.09 |
-9.82 |
-0.88 |
0 |
|
|
145442 |
53525158 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-86.83 |
3.1 |
-8.02 |
-0.79 |
0 |
|
|
145443 |
53525724 |
1 |
FOSN2C17H17 |
ABCD2E17F17 |
-5.75 |
5.01 |
-9.25 |
-0.92 |
0 |
|
|
145444 |
53525904 |
1 |
BrON2H15C16 |
ABC2D15E16 |
18.6 |
3.05 |
-9.22 |
-0.59 |
0 |
|
|
145445 |
53525935 |
1 |
ON2C14H26 |
AB2C14D26 |
-47.95 |
0.64 |
-8.63 |
1.34 |
0 |
|
|
145446 |
53526297 |
1 |
O2N3H15C16 |
A2B3C15D16 |
14.77 |
3.06 |
-9.68 |
-0.85 |
0 |
|
|
145447 |
53526478 |
1 |
F3N3O3C20H24 |
A3B3C3D20E24 |
-279.52 |
3.15 |
-9.74 |
-0.54 |
0 |
|
|
145448 |
53526594 |
1 |
SO3N4C10H12 |
AB3C4D10E12 |
-23.22 |
4.85 |
-9.56 |
-1.11 |
0 |
|
|
145449 |
53526758 |
1 |
ON4H14C15 |
AB4C14D15 |
60.6 |
5.43 |
-8.52 |
-0.45 |
0 |
|
|
145450 |
53526966 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-57.89 |
4.52 |
-8.91 |
0.42 |
0 |
|
|
145451 |
53527058 |
1 |
BrSN2O2C18H23 |
ABC2D2E18F23 |
-36.93 |
3.12 |
-8.61 |
-0.65 |
0 |
|
|
145452 |
53527059 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-152.11 |
2.47 |
-9.1 |
0.78 |
0 |
|
|
145453 |
53527747 |
1 |
ON4C17H26 |
AB4C17D26 |
-36.73 |
6.35 |
-9.97 |
0.45 |
0 |
|
|
145454 |
53527748 |
1 |
F3N3O3H16C17 |
A3B3C3D16E17 |
-250.04 |
9.86 |
-9.09 |
-0.91 |
0 |
|
|
145455 |
53527749 |
1 |
ON3C10H15 |
AB3C10D15 |
-19.63 |
3.01 |
-8.94 |
0.05 |
0 |
|
|
145456 |
53528092 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-117.03 |
3.74 |
-9.5 |
-0.68 |
0 |
|
|
145457 |
53528099 |
1 |
ClN3O4H16C18 |
AB3C4D16E18 |
-121.94 |
6.49 |
-8.44 |
-1.02 |
0 |
|
|
145458 |
53528479 |
1 |
FSN3O3C14H20 |
ABC3D3E14F20 |
-164.98 |
6.21 |
-8.71 |
0.11 |
0 |
|
|
145459 |
53528706 |
1 |
ClOSN3H14C15 |
ABCD3E14F15 |
11.12 |
3.98 |
-8.26 |
-1.27 |
0 |
|
|
145460 |
53528746 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-99.91 |
5.55 |
-8.31 |
0.05 |
0 |
|
|
145461 |
53528782 |
1 |
NSO5C15H15 |
ABC5D15E15 |
-153.34 |
4.45 |
-9.82 |
-1.23 |
0 |
|
|
145462 |
53528891 |
1 |
NF2O2C19H19 |
AB2C2D19E19 |
-131.82 |
4.72 |
-9.55 |
-0.7 |
0 |
|
|
145463 |
53528892 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-21.84 |
3.2 |
-9.06 |
-0.89 |
0 |