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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78452 |
49689760 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-59.81 |
9.85 |
-9.5 |
-1.01 |
0 |
|
|
78453 |
49689765 |
1 |
SO3N6C16H22 |
AB3C6D16E22 |
-41.85 |
9.23 |
-9.42 |
-1.04 |
0 |
|
|
78454 |
49689774 |
1 |
SF2O2N4C17H18 |
AB2C2D4E17F18 |
-107.56 |
2.53 |
-9.91 |
-1.35 |
0 |
|
|
78455 |
49689778 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-38.29 |
8.63 |
-9.58 |
-1.1 |
0 |
|
|
78456 |
49689782 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-17.55 |
10.64 |
-8.53 |
-1.09 |
0 |
|
|
78457 |
49689808 |
1 |
SO4N5C18H19 |
AB4C5D18E19 |
-19.8 |
6.08 |
-9.64 |
-1.3 |
0 |
|
|
78458 |
49689816 |
1 |
SO2N4C21H30 |
AB2C4D21E30 |
-75.26 |
7.83 |
-9.56 |
-1.13 |
0 |
|
|
78459 |
49689817 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-32.0 |
5.91 |
-9.75 |
-1.65 |
0 |
|
|
78460 |
49689818 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-31.55 |
5.94 |
-9.75 |
-1.78 |
0 |
|
|
78461 |
49689819 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-32.55 |
6.09 |
-9.81 |
-1.63 |
0 |
|
|
78462 |
49689820 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-31.19 |
7.23 |
-9.78 |
-1.51 |
0 |
|
|
78463 |
49689821 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-99.08 |
7.28 |
-9.27 |
-1.07 |
0 |
|
|
78464 |
49689823 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-100.41 |
8.61 |
-9.3 |
-1.06 |
0 |
|
|
78465 |
49689824 |
1 |
SN4O4C19H24 |
AB4C4D19E24 |
-103.3 |
7.79 |
-9.3 |
-1.2 |
0 |
|
|
78466 |
49689833 |
1 |
SO2N4C21H34 |
AB2C4D21E34 |
-88.28 |
7.96 |
-9.57 |
-1.08 |
0 |
|
|
78467 |
49689837 |
1 |
ClSO3N4C18H21 |
ABC3D4E18F21 |
-67.08 |
5.12 |
-9.41 |
-1.24 |
0 |
|
|
78468 |
49689842 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-68.35 |
10.03 |
-9.72 |
-1.36 |
0 |
|
|
78469 |
49689845 |
1 |
SCl2O2N4C17H18 |
AB2C2D4E17F18 |
-33.92 |
2.29 |
-9.93 |
-1.37 |
0 |
|
|
78470 |
49689850 |
1 |
SN4O4C20H22 |
AB4C4D20E22 |
-70.35 |
7.97 |
-9.04 |
-1.1 |
0 |
|
|
78471 |
49689852 |
1 |
SO4N5C19H21 |
AB4C5D19E21 |
-87.51 |
5.96 |
-9.53 |
-1.17 |
0 |
|
|
78472 |
49689854 |
1 |
SO3N4C21H28 |
AB3C4D21E28 |
-75.05 |
5.94 |
-9.09 |
-1.23 |
0 |
|
|
78473 |
49689860 |
1 |
BrSO2N4C17H19 |
ABC2D4E17F19 |
-15.24 |
7.65 |
-9.65 |
-1.09 |
0 |
|
|
78474 |
49689865 |
1 |
ClSO4N5C17H18 |
ABC4D5E17F18 |
-27.7 |
6.33 |
-9.8 |
-2.07 |
0 |
|
|
78475 |
49689874 |
1 |
O2S2N4C21H28 |
A2B2C4D21E28 |
-41.33 |
2.39 |
-8.7 |
-1.34 |
0 |
|
|
78476 |
49689877 |
1 |
SO2N4C24H26 |
AB2C4D24E26 |
-3.33 |
5.09 |
-9.32 |
-1.27 |
0 |
|
|
78477 |
49693205 |
2 |
FNOC10H10 |
ABCD10E10 |
-139.4 |
4.69 |
-9.32 |
-0.83 |
0 |
|
|
78478 |
49693222 |
1 |
FN2O2C22H25 |
AB2C2D22E25 |
-110.87 |
0.22 |
-9.31 |
-0.4 |
0 |
|
|
78479 |
49693228 |
1 |
FN2O3C21H23 |
AB2C3D21E23 |
-132.4 |
4.67 |
-9.24 |
-0.34 |
0 |
|
|
78480 |
49693229 |
1 |
FN3O3C20H22 |
AB3C3D20E22 |
-141.04 |
6.15 |
-9.16 |
-1.01 |
0 |
|
|
78481 |
49693230 |
1 |
F2N2O2C21H22 |
A2B2C2D21E22 |
-148.74 |
4.96 |
-9.3 |
-0.4 |
0 |
|
|
78482 |
49693243 |
1 |
ClFSN2O2C18H18 |
ABCD2E2F18G18 |
-88.78 |
6.31 |
-9.28 |
-1.22 |
0 |
|
|
78483 |
49693250 |
1 |
FN2O4C21H21 |
AB2C4D21E21 |
-155.15 |
1.59 |
-9.14 |
-0.59 |
0 |
|
|
78484 |
49693259 |
1 |
FN3O4C20H20 |
AB3C4D20E20 |
-95.12 |
4.64 |
-9.64 |
-1.66 |
0 |
|
|
78485 |
49693265 |
1 |
F2N2O3C21H22 |
A2B2C3D21E22 |
-176.16 |
3.63 |
-9.36 |
-0.5 |
0 |
|
|
78486 |
49693281 |
1 |
FN2O3C23H27 |
AB2C3D23E27 |
-145.92 |
6.46 |
-8.9 |
-0.32 |
0 |
|
|
78487 |
49693287 |
1 |
FN3O4C21H22 |
AB3C4D21E22 |
-105.19 |
3.97 |
-9.64 |
-1.51 |
0 |
|
|
78488 |
49693302 |
1 |
FN2O2C25H25 |
AB2C2D25E25 |
-84.08 |
5.17 |
-9.13 |
-0.77 |
0 |
|
|
78489 |
49693314 |
1 |
FCl2N2O2H19C20 |
AB2C2D2E19F20 |
-110.76 |
4.8 |
-9.34 |
-1.08 |
0 |
|
|
78490 |
49693315 |
1 |
FCl2N2O2H19C20 |
AB2C2D2E19F20 |
-105.93 |
3.72 |
-9.62 |
-0.98 |
0 |
|
|
78491 |
49693322 |
1 |
FN2O4C23H27 |
AB2C4D23E27 |
-175.91 |
6.03 |
-8.48 |
-0.42 |
0 |
|
|
78492 |
49693328 |
1 |
ClFN3O4H19C20 |
ABC3D4E19F20 |
-100.97 |
6.58 |
-9.36 |
-1.89 |
0 |
|
|
78493 |
49693329 |
1 |
ClFN3O4H19C20 |
ABC3D4E19F20 |
-103.13 |
5.11 |
-9.48 |
-1.89 |
0 |
|
|
78494 |
49693331 |
1 |
ClFN3O4H19C20 |
ABC3D4E19F20 |
-101.44 |
5.57 |
-9.68 |
-2.0 |
0 |
|
|
78495 |
49693332 |
1 |
FN2O3C25H25 |
AB2C3D25E25 |
-112.8 |
6.84 |
-8.89 |
-0.76 |
0 |
|
|
78496 |
49693360 |
1 |
ClFN3O3H23C24 |
ABC3D3E23F24 |
-86.67 |
3.48 |
-9.27 |
-0.62 |
0 |
|
|
78497 |
49693363 |
1 |
ClFN3O3C24H25 |
ABC3D3E24F25 |
-146.55 |
3.87 |
-8.88 |
-0.46 |
0 |
|
|
78498 |
49693364 |
1 |
FSN2O4C24H29 |
ABC2D4E24F29 |
-193.72 |
8.66 |
-9.33 |
-0.8 |
0 |
|
|
78499 |
49693378 |
1 |
FO2N3C20H22 |
AB2C3D20E22 |
-91.73 |
2.02 |
-8.8 |
-0.53 |
0 |
|
|
78500 |
49693383 |
1 |
FO2N3C21H24 |
AB2C3D21E24 |
-104.02 |
5.95 |
-8.81 |
-0.54 |
0 |
|
|
78501 |
49693387 |
1 |
FSO2N3C19H22 |
ABC2D3E19F22 |
-91.64 |
2.35 |
-9.29 |
-0.48 |
0 |
|
|
78502 |
49693396 |
1 |
ClFO2N3C20H21 |
ABC2D3E20F21 |
-103.6 |
3.16 |
-9.11 |
-0.54 |
0 |
|
|
78503 |
49693401 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-139.75 |
8.22 |
-8.37 |
-0.33 |
0 |
|
|
78504 |
49693423 |
1 |
N3O4C12H13 |
A3B4C12D13 |
-64.04 |
6.27 |
-10.11 |
-1.77 |
0 |
|
|
78505 |
49693431 |
2 |
NO2C7H9 |
AB2C7D9 |
-143.19 |
2.48 |
-9.19 |
-0.33 |
0 |
|
|
78506 |
49693435 |
1 |
SN3O4C16H21 |
AB3C4D16E21 |
-142.06 |
4.92 |
-9.71 |
-0.98 |
0 |
|
|
78507 |
49693437 |
1 |
SN3O4C10H11 |
AB3C4D10E11 |
-58.72 |
5.67 |
-10.12 |
-2.1 |
0 |
|
|
78508 |
49693439 |
1 |
N3O5C10H11 |
A3B5C10D11 |
-82.52 |
2.64 |
-10.19 |
-2.03 |
0 |
|
|
78509 |
49693440 |
1 |
BrSN2O2C10H11 |
ABC2D2E10F11 |
-45.1 |
6.41 |
-9.72 |
-1.18 |
0 |
|
|
78510 |
49693441 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-147.42 |
5.24 |
-9.57 |
-1.02 |
0 |
|
|
78511 |
49693444 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-169.13 |
7.93 |
-9.61 |
-1.13 |
0 |
|
|
78512 |
49693450 |
1 |
SN3O4C21H23 |
AB3C4D21E23 |
-112.72 |
5.55 |
-9.3 |
-1.1 |
0 |
|
|
78513 |
49693452 |
1 |
N2O4H16C19 |
A2B4C16D19 |
-107.79 |
4.57 |
-9.4 |
-1.68 |
0 |
|
|
78514 |
49693453 |
1 |
SN4O6C19H26 |
AB4C6D19E26 |
-230.1 |
4.44 |
-9.49 |
-1.2 |
0 |
|
|
78515 |
49693455 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-148.9 |
2.48 |
-9.42 |
-1.14 |
0 |
|
|
78516 |
49693456 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-146.58 |
3.05 |
-9.45 |
-1.2 |
0 |
|
|
78517 |
49693458 |
2 |
NOC8H11 |
ABC8D11 |
-85.75 |
0.99 |
-9.61 |
-0.14 |
0 |
|
|
78518 |
49693459 |
2 |
NOC8H8 |
ABC8D8 |
-43.74 |
7.26 |
-9.33 |
-0.96 |
0 |
|
|
78519 |
49693461 |
1 |
SN3O4C19H21 |
AB3C4D19E21 |
-109.1 |
5.83 |
-8.78 |
-1.13 |
0 |
|
|
78520 |
49693462 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-154.63 |
5.19 |
-9.65 |
-1.02 |
0 |
|
|
78521 |
49693464 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-171.07 |
3.21 |
-9.65 |
-1.09 |
0 |
|
|
78522 |
49693467 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-115.93 |
5.55 |
-9.52 |
-1.05 |
0 |
|
|
78523 |
49693476 |
1 |
SN2O4C14H18 |
AB2C4D14E18 |
-149.48 |
5.39 |
-9.7 |
-0.92 |
0 |
|
|
78524 |
49693478 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-61.33 |
7.33 |
-8.8 |
-0.56 |
0 |
|
|
78525 |
49693479 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-68.87 |
2.45 |
-8.92 |
-0.67 |
0 |
|
|
78526 |
49693483 |
1 |
ClS2N3O4C14H18 |
AB2C3D4E14F18 |
-137.09 |
5.29 |
-9.59 |
-1.16 |
0 |
|
|
78527 |
49693484 |
1 |
SN2O4C16H22 |
AB2C4D16E22 |
-166.4 |
1.96 |
-9.64 |
-0.4 |
0 |
|
|
78528 |
49693485 |
1 |
FSN2O4C15H19 |
ABC2D4E15F19 |
-203.48 |
5.33 |
-9.67 |
-0.86 |
0 |
|
|
78529 |
49693487 |
1 |
SN2O5C16H22 |
AB2C5D16E22 |
-199.21 |
7.43 |
-9.6 |
-0.36 |
0 |
|
|
78530 |
49693488 |
1 |
SN2O5C15H20 |
AB2C5D15E20 |
-191.12 |
7.67 |
-9.72 |
-0.49 |
0 |
|
|
78531 |
49693493 |
1 |
SN2O4C15H20 |
AB2C4D15E20 |
-157.26 |
5.18 |
-9.94 |
-0.76 |
0 |
|
|
78532 |
49693495 |
1 |
FSN3O4C17H22 |
ABC3D4E17F22 |
-193.31 |
6.27 |
-9.38 |
-0.75 |
0 |
|
|
78533 |
49693496 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-157.23 |
4.57 |
-9.35 |
-0.37 |
0 |
|
|
78534 |
49693497 |
1 |
SN3O5C18H25 |
AB3C5D18E25 |
-189.44 |
5.44 |
-9.33 |
-0.36 |
0 |
|
|
78535 |
49693498 |
1 |
SN3O4C16H21 |
AB3C4D16E21 |
-117.02 |
5.28 |
-9.74 |
-1.03 |
0 |
|
|
78536 |
49693500 |
1 |
S2N3O4C15H21 |
A2B3C4D15E21 |
-140.22 |
4.22 |
-9.43 |
-0.99 |
0 |
|
|
78537 |
49693501 |
1 |
ClS2N3O4C15H20 |
AB2C3D4E15F20 |
-141.07 |
5.22 |
-9.59 |
-1.3 |
0 |
|
|
78538 |
49693504 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-88.14 |
0.61 |
-9.11 |
0.21 |
0 |
|
|
78539 |
49693526 |
1 |
ClSN3O3C13H14 |
ABC3D3E13F14 |
-73.16 |
2.38 |
-8.93 |
-1.27 |
0 |
|
|
78540 |
49693528 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-62.78 |
5.0 |
-9.06 |
-1.1 |
0 |
|
|
78541 |
49693538 |
1 |
OSN3C15H19 |
ABC3D15E19 |
4.6 |
6.3 |
-8.91 |
-0.74 |
0 |
|
|
78542 |
49693541 |
1 |
SO3N4C16H20 |
AB3C4D16E20 |
-35.54 |
4.62 |
-9.18 |
-1.33 |
0 |
|
|
78543 |
49693554 |
1 |
SN3O4H19C20 |
AB3C4D19E20 |
-50.65 |
7.15 |
-8.69 |
-1.49 |
0 |
|
|
78544 |
49693557 |
1 |
SN3O4H19C20 |
AB3C4D19E20 |
-47.19 |
2.05 |
-9.38 |
-1.4 |
0 |
|
|
78545 |
49693560 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-59.77 |
7.94 |
-9.22 |
-0.56 |
0 |
|
|
78546 |
49693565 |
1 |
N2O2H12C15 |
A2B2C12D15 |
19.79 |
6.92 |
-9.34 |
-1.08 |
0 |
|
|
78547 |
49693578 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-7.55 |
3.77 |
-9.07 |
-0.88 |
0 |
|
|
78548 |
49693580 |
1 |
S2N3O4C14H17 |
A2B3C4D14E17 |
-72.89 |
5.77 |
-9.42 |
-0.91 |
0 |
|
|
78549 |
49693590 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-12.27 |
7.86 |
-9.12 |
-1.01 |
0 |
|
|
78550 |
49693594 |
1 |
SN2O4C14H16 |
AB2C4D14E16 |
-90.09 |
6.79 |
-9.62 |
-0.72 |
0 |
|
|
78551 |
49693596 |
1 |
FSN3O4C16H18 |
ABC3D4E16F18 |
-129.04 |
5.36 |
-9.54 |
-0.77 |
0 |