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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
54380 |
17137122 |
1 |
SCl2O2N4H18C19 |
AB2C2D4E18F19 |
-7.41 |
7.76 |
-8.79 |
-0.89 |
0 |
|
|
54381 |
17137123 |
1 |
SO2N4C21H24 |
AB2C4D21E24 |
-2.64 |
6.57 |
-8.55 |
-0.69 |
0 |
|
|
54382 |
17137128 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
26.01 |
3.97 |
-8.79 |
-0.49 |
0 |
|
|
54383 |
17137132 |
1 |
SO2N4H24C25 |
AB2C4D24E25 |
40.84 |
3.86 |
-9.06 |
-0.74 |
0 |
|
|
54384 |
17137143 |
1 |
BrOSN4H17C18 |
ABCD4E17F18 |
53.48 |
5.17 |
-9.05 |
-0.76 |
0 |
|
|
54385 |
17137150 |
1 |
OSCl2N4H16C18 |
ABC2D4E16F18 |
31.27 |
3.3 |
-9.17 |
-0.82 |
0 |
|
|
54386 |
17137154 |
1 |
IOSN4H17C18 |
ABCD4E17F18 |
66.99 |
7.42 |
-8.91 |
-0.84 |
0 |
|
|
54387 |
17137156 |
1 |
OSN4C12H14 |
ABC4D12E14 |
21.06 |
3.4 |
-9.15 |
-0.74 |
0 |
|
|
54388 |
17137157 |
1 |
OSN4C16H22 |
ABC4D16E22 |
10.27 |
1.65 |
-8.56 |
-0.44 |
0 |
|
|
54389 |
17137175 |
1 |
OSN3C18H19 |
ABC3D18E19 |
49.59 |
5.55 |
-8.62 |
-0.47 |
0 |
|
|
54390 |
17137185 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-26.0 |
9.83 |
-8.61 |
-0.66 |
0 |
|
|
54391 |
17137189 |
1 |
SO2N4C20H22 |
AB2C4D20E22 |
7.59 |
5.08 |
-8.73 |
-0.7 |
0 |
|
|
54392 |
17137226 |
1 |
OSF2N4H16C18 |
ABC2D4E16F18 |
-43.02 |
6.53 |
-9.09 |
-0.84 |
0 |
|
|
54393 |
17137234 |
1 |
ClOS3N6H19C21 |
ABC3D6E19F21 |
108.67 |
2.08 |
-8.92 |
-1.16 |
0 |
|
|
54394 |
17137236 |
1 |
SO3N5H17C18 |
AB3C5D17E18 |
45.36 |
10.67 |
-9.38 |
-1.36 |
0 |
|
|
54395 |
17137248 |
1 |
SN3C20H23 |
AB3C20D23 |
64.69 |
6.92 |
-8.67 |
-0.72 |
0 |
|
|
54396 |
17137255 |
1 |
SO3N4C22H26 |
AB3C4D22E26 |
-36.73 |
6.76 |
-8.2 |
-0.74 |
0 |
|
|
54397 |
17137279 |
1 |
SN3C12H15 |
AB3C12D15 |
60.03 |
5.03 |
-8.63 |
-0.51 |
0 |
|
|
54398 |
17137287 |
1 |
OS2N4C21H24 |
AB2C4D21E24 |
36.82 |
4.36 |
-8.85 |
-0.63 |
0 |
|
|
54399 |
17138135 |
1 |
NO3C23H31 |
AB3C23D31 |
-119.12 |
4.54 |
-8.62 |
-0.29 |
0 |
|
|
54400 |
17141557 |
1 |
S2N3O3C19H23 |
A2B3C3D19E23 |
-105.72 |
4.58 |
-8.25 |
-1.01 |
0 |
|
|
54401 |
17141561 |
1 |
S2N3O4C22H29 |
A2B3C4D22E29 |
-143.39 |
10.97 |
-8.98 |
-1.19 |
0 |
|
|
54402 |
17141563 |
1 |
S2N3O4C20H25 |
A2B3C4D20E25 |
-120.46 |
11.81 |
-9.0 |
-1.18 |
0 |
|
|
54403 |
17141594 |
1 |
SN3O3C23H27 |
AB3C3D23E27 |
-86.56 |
4.82 |
-8.66 |
-0.79 |
0 |
|
|
54404 |
17141599 |
1 |
S2N3O4C26H29 |
A2B3C4D26E29 |
-108.82 |
11.82 |
-9.05 |
-1.23 |
0 |
|
|
54405 |
17144991 |
1 |
SN2O5C28H38 |
AB2C5D28E38 |
-205.79 |
3.6 |
-9.05 |
-0.42 |
0 |
|
|
54406 |
17150550 |
2 |
NO2C12H16 |
AB2C12D16 |
-158.41 |
2.32 |
-8.96 |
-0.35 |
0 |
|
|
54407 |
17150794 |
2 |
ClNO2C12H15 |
ABC2D12E15 |
-151.1 |
3.56 |
-8.93 |
-0.53 |
0 |
|
|
54408 |
17153668 |
1 |
SN4O6C27H34 |
AB4C6D27E34 |
-224.48 |
10.69 |
-9.47 |
-1.07 |
0 |
|
|
54409 |
17153674 |
1 |
SO4N5C22H29 |
AB4C5D22E29 |
-113.32 |
9.18 |
-9.61 |
-1.06 |
0 |
|
|
54410 |
17153678 |
2 |
N2O2C13H16 |
A2B2C13D16 |
-159.13 |
4.05 |
-8.92 |
-0.72 |
0 |
|
|
54411 |
17153707 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-111.71 |
2.93 |
-8.74 |
-0.54 |
0 |
|
|
54412 |
17153743 |
1 |
FN3O3H20C24 |
AB3C3D20E24 |
-98.4 |
4.58 |
-9.0 |
-0.81 |
0 |
|
|
54413 |
17154071 |
1 |
ISN2O3C16H17 |
ABC2D3E16F17 |
-75.0 |
10.55 |
-8.64 |
-0.89 |
0 |
|
|
54414 |
17154095 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-163.97 |
7.83 |
-8.54 |
-0.52 |
0 |
|
|
54415 |
17154167 |
1 |
S2N3O5C20H25 |
A2B3C5D20E25 |
-165.14 |
6.45 |
-9.41 |
-0.74 |
0 |
|
|
54416 |
17154637 |
1 |
N3O3C25H25 |
A3B3C25D25 |
-72.13 |
2.62 |
-9.12 |
-0.41 |
0 |
|
|
54417 |
17154638 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-139.72 |
6.63 |
-9.11 |
-0.62 |
0 |
|
|
54418 |
17154667 |
2 |
NO2C8H8 |
AB2C8D8 |
-51.88 |
6.02 |
-8.99 |
-1.83 |
0 |
|
|
54419 |
17155250 |
1 |
BrFNO3C18H21 |
ABCD3E18F21 |
-123.51 |
1.86 |
-9.1 |
-0.4 |
0 |
|
|
54421 |
17385821 |
1 |
ClN3O6H14C16 |
AB3C6D14E16 |
-94.15 |
6.73 |
-8.89 |
-2.02 |
0 |
|
|
54422 |
17388035 |
1 |
FOSN3C19H24 |
ABCD3E19F24 |
-68.82 |
3.68 |
-8.89 |
-0.9 |
0 |
|
|
54423 |
17388640 |
2 |
Na2C3S3H5O6 |
A2B3C3D5E6 |
-671.3 |
22.5 |
-9.22 |
-1.27 |
0 |
|
|
54424 |
17388642 |
1 |
Cl2N4H10C15 |
A2B4C10D15 |
134.53 |
2.02 |
-8.64 |
-1.95 |
0 |
|
|
54425 |
17388655 |
1 |
Br3N3C14H20 |
A3B3C14D20 |
54.65 |
18.13 |
-8.03 |
-2.43 |
0 |
|
|
54427 |
17388663 |
1 |
O5C25H36 |
A5B25C36 |
-216.47 |
1.87 |
-9.36 |
0.14 |
0 |
|
|
54428 |
17388664 |
1 |
O4C23H32 |
A4B23C32 |
-172.62 |
2.48 |
-9.43 |
0.25 |
0 |
|
|
54429 |
17388665 |
1 |
NCl2C15H19 |
AB2C15D19 |
15.79 |
11.55 |
-8.4 |
-1.04 |
0 |
|
|
54430 |
17388666 |
1 |
BrNC18H22 |
ABC18D22 |
79.68 |
11.92 |
-8.02 |
-0.96 |
0 |
|
|
54431 |
17388667 |
2 |
BrNC15H18 |
ABC15D18 |
71.51 |
0.57 |
-8.07 |
-1.12 |
0 |
|
|
54432 |
17388671 |
1 |
NBr2C8H15 |
AB2C8D15 |
22.99 |
10.07 |
-8.27 |
-0.45 |
0 |
|
|
54433 |
17388672 |
1 |
BrClNC11H21 |
ABCD11E21 |
-6.46 |
12.4 |
-7.89 |
-0.59 |
0 |
|
|
54434 |
17388674 |
1 |
ClNC22H24 |
ABC22D24 |
67.24 |
12.64 |
-8.28 |
-1.39 |
0 |
|
|
54435 |
17388675 |
1 |
ClSN2O4C11H17 |
ABC2D4E11F17 |
-192.03 |
4.1 |
-9.5 |
-0.57 |
0 |
|
|
54436 |
17388676 |
1 |
NSO6C10H15 |
ABC6D10E15 |
-245.83 |
5.8 |
-10.36 |
-0.81 |
0 |
|
|
54437 |
17388678 |
1 |
ClN2O5C9H11 |
AB2C5D9E11 |
-149.07 |
6.02 |
-10.05 |
-1.64 |
0 |
|
|
54439 |
17388681 |
1 |
ClN2O5C10H13 |
AB2C5D10E13 |
-146.8 |
7.53 |
-9.9 |
-1.56 |
0 |
|
|
54440 |
17388682 |
1 |
NaN2O6H15C17 |
AB2C6D15E17 |
-173.9 |
11.32 |
-7.95 |
-2.06 |
0 |
|
|
54441 |
17388683 |
1 |
N2O6H16C17 |
A2B6C16D17 |
-105.96 |
8.43 |
-8.93 |
-1.37 |
0 |
|
|
54442 |
17388684 |
1 |
ClNNaO4C14H17 |
ABCD4E14F17 |
-233.7 |
6.85 |
-9.21 |
-0.04 |
0 |
|
|
54443 |
17388685 |
1 |
ClNaN2O5H14C17 |
ABC2D5E14F17 |
-154.78 |
7.23 |
-9.44 |
-1.53 |
0 |
|
|
54444 |
17388686 |
1 |
NSO5C15H17 |
ABC5D15E17 |
-174.39 |
8.57 |
-9.86 |
-0.72 |
0 |
|
|
54445 |
17388687 |
1 |
ClNO3C9H12 |
ABC3D9E12 |
-144.23 |
5.43 |
-10.14 |
-0.62 |
0 |
|
|
54446 |
17388688 |
1 |
NNaO3C9H10 |
ABC3D9E10 |
-161.28 |
7.0 |
-8.85 |
-0.23 |
0 |
|
|
54447 |
17388690 |
1 |
N2O5H22C24 |
A2B5C22D24 |
-134.34 |
2.04 |
-8.59 |
-1.33 |
0 |
|
|
54448 |
17388693 |
1 |
NaN2O6H15C17 |
AB2C6D15E17 |
-178.0 |
13.33 |
-9.43 |
-0.93 |
0 |
|
|
54449 |
17388696 |
1 |
NaN2O6H13C16 |
AB2C6D13E16 |
-156.14 |
8.31 |
-8.57 |
-1.44 |
0 |
|
|
54450 |
17388698 |
1 |
ClN2O5C10H13 |
AB2C5D10E13 |
-151.51 |
8.32 |
-10.41 |
-1.46 |
0 |
|
|
54451 |
17388699 |
1 |
BrON4F5C14H14 |
ABC4D5E14F14 |
-168.68 |
1.68 |
-9.64 |
-1.64 |
0 |
|
|
54452 |
17388700 |
2 |
N2O2C3H5 |
A2B2C3D5 |
22.89 |
5.16 |
-8.86 |
-1.2 |
0 |
|
|
54453 |
17388701 |
1 |
KSC2H3O3N4 |
ABC2D3E3F4 |
-111.42 |
4.66 |
-10.1 |
-0.33 |
0 |
|
|
54454 |
17388702 |
1 |
NSC2K2H3O5 |
ABC2D2E3F5 |
-320.52 |
5.58 |
-8.63 |
0.73 |
0 |
|
|
54457 |
17388706 |
1 |
NOSH17C25 |
ABCD17E25 |
86.63 |
6.89 |
-8.11 |
-1.42 |
0 |
|
|
54458 |
17388708 |
1 |
SN6O7C25H26 |
AB6C7D25E26 |
-105.62 |
10.7 |
-8.26 |
-1.93 |
0 |
|
|
54459 |
17388709 |
1 |
FSO2N4H13C14 |
ABC2D4E13F14 |
-35.41 |
8.51 |
-9.55 |
-1.43 |
0 |
|
|
54460 |
17388710 |
1 |
BrSO2N4H13C14 |
ABC2D4E13F14 |
14.98 |
9.59 |
-9.47 |
-1.49 |
0 |
|
|
54461 |
17388714 |
1 |
SO4N5H11C13 |
AB4C5D11E13 |
15.89 |
3.07 |
-9.76 |
-1.83 |
0 |
|
|
54462 |
17388715 |
1 |
BrSO2N4H13C15 |
ABC2D4E13F15 |
23.25 |
6.11 |
-8.83 |
-1.11 |
0 |
|
|
54463 |
17388718 |
1 |
SO3N4C12H12 |
AB3C4D12E12 |
-21.81 |
9.91 |
-9.27 |
-1.34 |
0 |
|
|
54464 |
17388719 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-42.34 |
11.69 |
-8.99 |
-1.08 |
0 |
|
|
54465 |
17388720 |
1 |
Se2N4O4H12C17 |
A2B4C4D12E17 |
111.34 |
9.03 |
-9.2 |
-1.77 |
0 |
|
|
54466 |
17388721 |
1 |
ClN4O5H13C22 |
AB4C5D13E22 |
72.36 |
6.61 |
-9.57 |
-2.11 |
0 |
|
|
54467 |
17388722 |
1 |
Br2N2S2O3H14C15 |
A2B2C2D3E14F15 |
-24.55 |
8.85 |
-8.78 |
-1.72 |
0 |
|
|
54468 |
17388728 |
1 |
SO2N5C14H19 |
AB2C5D14E19 |
9.52 |
8.2 |
-9.09 |
-0.95 |
0 |
|
|
54469 |
17388729 |
1 |
SN5O5C17H29 |
AB5C5D17E29 |
-176.03 |
8.97 |
-8.92 |
-0.94 |
0 |
|
|
54470 |
17388731 |
1 |
NSO2C13H23 |
ABC2D13E23 |
-88.66 |
4.18 |
-8.91 |
0.47 |
0 |
|
|
54471 |
17388734 |
2 |
SO2N3C8H12 |
AB2C3D8E12 |
-94.9 |
8.46 |
-8.96 |
-0.94 |
0 |
|
|
54472 |
17388735 |
1 |
OCl3N3C21H34 |
AB3C3D21E34 |
-116.95 |
0.85 |
-8.68 |
-0.33 |
0 |
|
|
54473 |
17388736 |
1 |
N2O6C21H24 |
A2B6C21D24 |
-175.31 |
7.58 |
-9.05 |
-0.65 |
0 |
|
|
54475 |
17388738 |
1 |
BrClSN2C5H12 |
ABCD2E5F12 |
-34.56 |
7.75 |
-9.76 |
-0.78 |
0 |
|
|
54476 |
17388739 |
3 |
CKNSH2O3 |
ABCDE2F3 |
-543.68 |
8.67 |
-8.66 |
0.25 |
0 |
|
|
54477 |
17388744 |
1 |
ClON5C17H26 |
ABC5D17E26 |
27.02 |
34.87 |
-6.18 |
-2.32 |
0 |
|
|
54478 |
17388746 |
1 |
O5C26H44 |
A5B26C44 |
-304.74 |
3.27 |
-10.02 |
0.78 |
0 |
|
|
54479 |
17388747 |
1 |
BrON2C19H29 |
ABC2D19E29 |
-42.94 |
15.73 |
-7.61 |
-0.9 |
0 |
|
|
54480 |
17388748 |
1 |
BrN2O3C19H27 |
AB2C3D19E27 |
-126.68 |
5.89 |
-8.9 |
-0.11 |
0 |
|
|
54481 |
17388750 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-94.32 |
6.78 |
-9.07 |
-0.9 |
0 |
|
|
54482 |
17388756 |
1 |
ClNOPC20H21 |
ABCDE20F21 |
-27.38 |
5.52 |
-8.6 |
-0.52 |
0 |
|
|
54483 |
17388757 |
1 |
ClN3O5H12C15 |
AB3C5D12E15 |
-44.33 |
10.75 |
-8.83 |
-1.78 |
0 |
|
|
54484 |
17388758 |
1 |
ClNO3C12H18 |
ABC3D12E18 |
-139.29 |
4.32 |
-9.06 |
-0.75 |
0 |
|
|
54485 |
17388760 |
1 |
O8C27H34 |
A8B27C34 |
-344.86 |
3.75 |
-9.87 |
-0.44 |
0 |