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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121562 |
50773491 |
1 |
ClSN2O3H15C18 |
ABC2D3E15F18 |
-46.48 |
2.68 |
-8.79 |
-1.19 |
0 |
|
|
121563 |
50773600 |
1 |
ClSN2O4H15C19 |
ABC2D4E15F19 |
-89.83 |
3.23 |
-9.28 |
-1.25 |
0 |
|
|
121564 |
50773601 |
1 |
SCl2N2O2H14C18 |
AB2C2D2E14F18 |
-20.96 |
2.74 |
-9.02 |
-1.04 |
0 |
|
|
121565 |
50773602 |
1 |
ClSN2O2H19C20 |
ABC2D2E19F20 |
-30.02 |
3.14 |
-8.78 |
-1.22 |
0 |
|
|
121566 |
50773697 |
1 |
SN3O4H15C20 |
AB3C4D15E20 |
-75.46 |
2.31 |
-8.55 |
-1.41 |
0 |
|
|
121567 |
50773698 |
1 |
ClSO2F3N3H13C20 |
ABC2D3E3F13G20 |
-181.05 |
4.06 |
-8.7 |
-1.49 |
0 |
|
|
121568 |
50773699 |
1 |
FSN3O4H18C22 |
ABC3D4E18F22 |
-148.53 |
3.28 |
-8.79 |
-1.52 |
0 |
|
|
121569 |
50773700 |
1 |
FSN3O3H14C18 |
ABC3D3E14F18 |
-91.35 |
1.7 |
-8.69 |
-1.42 |
0 |
|
|
121570 |
50773701 |
1 |
ClSF2O2N3H14C20 |
ABC2D2E3F14G20 |
-115.92 |
3.08 |
-8.78 |
-1.52 |
0 |
|
|
121571 |
50773702 |
1 |
SN2O4H18C19 |
AB2C4D18E19 |
-71.91 |
3.9 |
-8.35 |
-0.79 |
0 |
|
|
121572 |
50773703 |
1 |
SF2N2O2H12C17 |
AB2C2D2E12F17 |
-86.95 |
7.86 |
-9.11 |
-1.16 |
0 |
|
|
121573 |
50773731 |
1 |
BrSN2O2F3H12C18 |
ABC2D2E3F12G18 |
-151.59 |
6.04 |
-9.32 |
-1.54 |
0 |
|
|
121574 |
50773770 |
1 |
BrClSN2O2F3H11C18 |
ABCD2E2F3G11H18 |
-161.99 |
5.11 |
-9.24 |
-1.35 |
0 |
|
|
121575 |
50773771 |
1 |
BrClSN2O3H14C18 |
ABCD2E3F14G18 |
-37.41 |
5.22 |
-8.82 |
-1.06 |
0 |
|
|
121576 |
50774054 |
1 |
NO4H19C22 |
AB4C19D22 |
-60.33 |
2.61 |
-8.41 |
-0.62 |
0 |
|
|
121577 |
50774056 |
1 |
SO2N4H22C25 |
AB2C4D22E25 |
44.95 |
3.81 |
-8.76 |
-1.16 |
0 |
|
|
121578 |
50774057 |
1 |
OSN4H20C24 |
ABC4D20E24 |
86.0 |
4.85 |
-8.88 |
-1.18 |
0 |
|
|
121579 |
50774058 |
1 |
OSN4C20H20 |
ABC4D20E20 |
49.33 |
5.14 |
-8.84 |
-1.11 |
0 |
|
|
121580 |
50774071 |
1 |
FSN3O4H16C20 |
ABC3D4E16F20 |
-120.85 |
3.74 |
-8.36 |
-1.45 |
0 |
|
|
121581 |
50774072 |
1 |
OSN5C18H19 |
ABC5D18E19 |
50.1 |
3.91 |
-8.56 |
-1.11 |
0 |
|
|
121582 |
50774073 |
1 |
ClSO2N3H14C19 |
ABC2D3E14F19 |
-17.63 |
5.27 |
-8.86 |
-1.64 |
0 |
|
|
121583 |
50774074 |
1 |
FSN3O3H12C17 |
ABC3D3E12F17 |
-78.35 |
2.86 |
-8.87 |
-1.6 |
0 |
|
|
121584 |
50774075 |
1 |
FSO2N3C16H16 |
ABC2D3E16F16 |
-84.41 |
3.71 |
-8.57 |
-1.25 |
0 |
|
|
121585 |
50774157 |
1 |
NCl2O2H17C23 |
AB2C2D17E23 |
-7.79 |
3.78 |
-8.95 |
-0.82 |
0 |
|
|
121586 |
50774158 |
1 |
FNO4H24C26 |
ABC4D24E26 |
-127.26 |
6.32 |
-8.52 |
-0.5 |
0 |
|
|
121587 |
50774159 |
1 |
FNO5H24C26 |
ABC5D24E26 |
-156.45 |
1.97 |
-8.3 |
-0.43 |
0 |
|
|
121588 |
50774160 |
1 |
BrNSO3H22C25 |
ABCD3E22F25 |
-23.07 |
4.78 |
-8.49 |
-0.46 |
0 |
|
|
121589 |
50774161 |
1 |
NO4C19H19 |
AB4C19D19 |
-121.12 |
4.05 |
-8.77 |
-0.08 |
0 |
|
|
121590 |
50774162 |
1 |
NF2O4H17C19 |
AB2C4D17E19 |
-207.93 |
3.37 |
-8.58 |
-0.41 |
0 |
|
|
121591 |
50774199 |
1 |
NO3C27H27 |
AB3C27D27 |
-47.05 |
3.87 |
-8.54 |
-0.32 |
0 |
|
|
121592 |
50774200 |
1 |
BrNO2H18C23 |
ABC2D18E23 |
16.62 |
4.49 |
-9.1 |
-0.77 |
0 |
|
|
121593 |
50774201 |
1 |
BrNO3H22C25 |
ABC3D22E25 |
-37.26 |
4.4 |
-8.63 |
-0.63 |
0 |
|
|
121594 |
50774217 |
1 |
NSO3C27H27 |
ABC3D27E27 |
-41.52 |
7.15 |
-8.49 |
-0.27 |
0 |
|
|
121595 |
50774247 |
1 |
NO4C28H29 |
AB4C28D29 |
-81.69 |
4.06 |
-8.3 |
-0.36 |
0 |
|
|
121596 |
50774470 |
1 |
SO3N6C26H30 |
AB3C6D26E30 |
-55.49 |
2.56 |
-9.15 |
-1.57 |
0 |
|
|
121597 |
50774471 |
1 |
FSO2N5C22H22 |
ABC2D5E22F22 |
-38.2 |
5.66 |
-9.21 |
-1.54 |
0 |
|
|
121598 |
50774473 |
1 |
FSO3N5H22C24 |
ABC3D5E22F24 |
-63.4 |
2.83 |
-8.97 |
-1.45 |
0 |
|
|
121599 |
50774544 |
1 |
ClFSO2N5H21C23 |
ABCD2E5F21G23 |
-38.79 |
6.33 |
-8.98 |
-1.54 |
0 |
|
|
121600 |
50774545 |
1 |
SO3N6C24H30 |
AB3C6D24E30 |
-69.82 |
6.68 |
-9.0 |
-1.61 |
0 |
|
|
121601 |
50774565 |
1 |
SO3N6C27H32 |
AB3C6D27E32 |
-57.41 |
9.57 |
-8.76 |
-1.78 |
0 |
|
|
121602 |
50774781 |
1 |
F2O4N5C25H25 |
A2B4C5D25E25 |
-182.37 |
6.03 |
-9.28 |
-1.33 |
0 |
|
|
121603 |
50774809 |
1 |
F2O4N5H25C26 |
A2B4C5D25E26 |
-177.47 |
5.36 |
-9.3 |
-1.31 |
0 |
|
|
121604 |
50774856 |
1 |
ClO4N6H23C24 |
AB4C6D23E24 |
-74.05 |
5.44 |
-9.0 |
-1.63 |
0 |
|
|
121605 |
50774903 |
1 |
FO4N6C26H29 |
AB4C6D26E29 |
-150.98 |
4.98 |
-9.41 |
-1.37 |
0 |
|
|
121606 |
50774983 |
2 |
O2N3C12H15 |
A2B3C12D15 |
-114.19 |
2.98 |
-9.41 |
-1.54 |
0 |
|
|
121607 |
50775030 |
1 |
F3O3N5C25H26 |
A3B3C5D25E26 |
-222.5 |
4.79 |
-9.38 |
-1.39 |
0 |
|
|
121608 |
50775037 |
1 |
ClO3N5H24C27 |
AB3C5D24E27 |
-26.31 |
2.21 |
-9.29 |
-1.4 |
0 |
|
|
121609 |
50775038 |
1 |
ClO3N5H24C27 |
AB3C5D24E27 |
-28.34 |
4.2 |
-9.3 |
-1.4 |
0 |
|
|
121610 |
50775039 |
1 |
O3N5H29C30 |
A3B5C29D30 |
-27.36 |
5.44 |
-9.17 |
-1.32 |
0 |
|
|
121611 |
50775040 |
1 |
O3N5C30H31 |
A3B5C30D31 |
-45.46 |
5.33 |
-9.04 |
-1.27 |
0 |
|
|
121612 |
50775041 |
1 |
O4N5C24H25 |
A4B5C24D25 |
-86.39 |
8.73 |
-9.19 |
-1.23 |
0 |
|
|
121613 |
50775042 |
1 |
N5O5C24H25 |
A5B5C24D25 |
-118.18 |
6.26 |
-9.22 |
-1.29 |
0 |
|
|
121614 |
50775060 |
1 |
FO3N5H24C27 |
AB3C5D24E27 |
-65.06 |
2.56 |
-9.26 |
-1.36 |
0 |
|
|
121615 |
50775061 |
1 |
FO3N5H26C29 |
AB3C5D26E29 |
-61.64 |
4.73 |
-9.19 |
-1.4 |
0 |
|
|
121616 |
50775062 |
1 |
O3N5C29H29 |
A3B5C29D29 |
-38.63 |
6.72 |
-9.16 |
-1.29 |
0 |
|
|
121617 |
50775063 |
1 |
O4N5C25H27 |
A4B5C25D27 |
-98.14 |
3.75 |
-9.32 |
-1.44 |
0 |
|
|
121618 |
50775064 |
1 |
N5O5C24H25 |
A5B5C24D25 |
-115.34 |
9.25 |
-9.23 |
-1.25 |
0 |
|
|
121619 |
50775065 |
1 |
ClO4N5H22C24 |
AB4C5D22E24 |
-79.95 |
6.19 |
-9.35 |
-1.35 |
0 |
|
|
121620 |
50775107 |
1 |
ClO3N5H22C23 |
AB3C5D22E23 |
-51.13 |
3.72 |
-9.23 |
-1.39 |
0 |
|
|
121621 |
50775135 |
1 |
FO3N5H22C23 |
AB3C5D22E23 |
-90.52 |
3.71 |
-9.31 |
-1.39 |
0 |
|
|
121622 |
50775142 |
1 |
O3N6C19H22 |
A3B6C19D22 |
-48.71 |
5.08 |
-9.56 |
-1.45 |
0 |
|
|
121623 |
50775172 |
1 |
SO3N6C27H32 |
AB3C6D27E32 |
-63.82 |
8.33 |
-8.68 |
-1.51 |
0 |
|
|
121624 |
50775173 |
1 |
O3N5C28H33 |
A3B5C28D33 |
-76.08 |
2.65 |
-9.16 |
-1.29 |
0 |
|
|
121625 |
50775174 |
1 |
O3N5C29H33 |
A3B5C29D33 |
-51.85 |
6.05 |
-9.14 |
-1.28 |
0 |
|
|
121626 |
50775197 |
1 |
ClO3N5C26H30 |
AB3C5D26E30 |
-77.49 |
2.8 |
-9.2 |
-1.29 |
0 |
|
|
121627 |
50775198 |
1 |
ClO3N5C26H30 |
AB3C5D26E30 |
-78.55 |
3.54 |
-9.26 |
-1.31 |
0 |
|
|
121628 |
50775199 |
1 |
ClO3N5H26C28 |
AB3C5D26E28 |
-31.61 |
1.8 |
-9.22 |
-1.3 |
0 |
|
|
121629 |
50775216 |
1 |
O4N5C27H31 |
A4B5C27D31 |
-110.17 |
3.62 |
-9.26 |
-1.4 |
0 |
|
|
121630 |
50775220 |
1 |
SO3N5C26H27 |
AB3C5D26E27 |
-30.41 |
7.63 |
-9.19 |
-1.36 |
0 |
|
|
121631 |
50775249 |
1 |
O4N5H27C29 |
A4B5C27D29 |
-47.76 |
4.04 |
-9.23 |
-1.21 |
0 |
|
|
121632 |
50775316 |
1 |
O4N5C26H27 |
A4B5C26D27 |
-88.09 |
8.18 |
-9.19 |
-1.3 |
0 |
|
|
121633 |
50775354 |
1 |
O3N5C16H19 |
A3B5C16D19 |
-72.29 |
5.0 |
-9.25 |
-1.35 |
0 |
|
|
121634 |
50775399 |
2 |
O2N3C13H15 |
A2B3C13D15 |
-107.31 |
3.32 |
-9.31 |
-1.43 |
0 |
|
|
121635 |
50775490 |
1 |
SBr2N2O2H14C18 |
AB2C2D2E14F18 |
-26.62 |
5.0 |
-9.06 |
-1.09 |
0 |
|
|
121636 |
50775586 |
2 |
FO2N3C12H12 |
AB2C3D12E12 |
-184.44 |
4.16 |
-9.36 |
-1.59 |
0 |
|
|
121637 |
50775622 |
1 |
ClO4N6C23H23 |
AB4C6D23E23 |
-94.49 |
3.66 |
-9.3 |
-1.52 |
0 |
|
|
121638 |
50775696 |
1 |
O4N6C27H30 |
A4B6C27D30 |
-99.23 |
4.1 |
-9.47 |
-1.5 |
0 |
|
|
121639 |
50775697 |
1 |
FO4N6C23H23 |
AB4C6D23E23 |
-132.28 |
4.8 |
-9.06 |
-1.65 |
0 |
|
|
121640 |
50775698 |
1 |
ClO4N6C25H25 |
AB4C6D25E25 |
-97.63 |
3.36 |
-9.01 |
-1.6 |
0 |
|
|
121641 |
50775699 |
1 |
FO4N6H23C24 |
AB4C6D23E24 |
-125.14 |
3.68 |
-9.34 |
-1.54 |
0 |
|
|
121642 |
50775700 |
1 |
FO4N6C26H27 |
AB4C6D26E27 |
-137.95 |
1.32 |
-9.53 |
-1.54 |
0 |
|
|
121643 |
50775701 |
2 |
O2N3C11H14 |
A2B3C11D14 |
-130.67 |
6.06 |
-9.47 |
-1.47 |
0 |
|
|
121644 |
50775860 |
1 |
SN3O3C21H35 |
AB3C3D21E35 |
-153.93 |
8.88 |
-8.64 |
-0.48 |
0 |
|
|
121645 |
50775861 |
1 |
SN3O3C25H35 |
AB3C3D25E35 |
-113.05 |
4.67 |
-8.99 |
-0.47 |
0 |
|
|
121646 |
50775862 |
1 |
SN3O3C23H31 |
AB3C3D23E31 |
-91.49 |
2.37 |
-9.18 |
-0.58 |
0 |
|
|
121647 |
50775931 |
1 |
SN3O5C18H27 |
AB3C5D18E27 |
-155.18 |
6.56 |
-8.75 |
-0.69 |
0 |
|
|
121648 |
50775972 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-121.5 |
4.73 |
-9.03 |
-0.48 |
0 |
|
|
121649 |
50775978 |
1 |
SO3N5C22H37 |
AB3C5D22E37 |
-111.66 |
7.73 |
-8.34 |
-0.6 |
0 |
|
|
121650 |
50776068 |
1 |
SN3O4C23H31 |
AB3C4D23E31 |
-127.29 |
6.26 |
-9.01 |
-0.48 |
0 |
|
|
121651 |
50776071 |
1 |
FSN3O3C22H28 |
ABC3D3E22F28 |
-128.73 |
5.3 |
-9.32 |
-0.8 |
0 |
|
|
121652 |
50776127 |
1 |
SN3O4C23H39 |
AB3C4D23E39 |
-185.49 |
7.53 |
-8.85 |
-0.56 |
0 |
|
|
121653 |
50776128 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-112.33 |
5.87 |
-9.05 |
-0.69 |
0 |
|
|
121654 |
50776129 |
1 |
BrSN3O3C17H26 |
ABC3D3E17F26 |
-111.22 |
3.16 |
-9.07 |
-1.09 |
0 |
|
|
121655 |
50776170 |
1 |
SN3O4C20H31 |
AB3C4D20E31 |
-166.32 |
7.43 |
-8.72 |
-0.33 |
0 |
|
|
121656 |
50776226 |
1 |
ClO4N6H15C20 |
AB4C6D15E20 |
2.23 |
5.4 |
-9.78 |
-1.35 |
0 |
|
|
121657 |
50776265 |
1 |
O6N7C22H25 |
A6B7C22D25 |
-126.76 |
5.39 |
-9.67 |
-1.27 |
0 |
|
|
121658 |
50776310 |
1 |
FO4N7C23H26 |
AB4C7D23E26 |
-72.67 |
4.55 |
-8.91 |
-1.41 |
0 |
|
|
121659 |
50776311 |
1 |
N6O6C23H26 |
A6B6C23D26 |
-133.57 |
7.9 |
-9.43 |
-1.19 |
0 |
|
|
121660 |
50776312 |
1 |
O4N6H22C23 |
A4B6C22D23 |
-5.06 |
1.9 |
-9.37 |
-1.22 |
0 |
|
|
121661 |
50776313 |
2 |
O2N3C10H11 |
A2B3C10D11 |
-46.08 |
7.24 |
-9.45 |
-1.23 |
0 |