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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
444682 |
135263256 |
1 |
BrNOH6C9 |
ABCD6E9 |
18.57 |
4.83 |
-9.53 |
-1.01 |
0 |
|
|
444683 |
135263257 |
1 |
NO4H9C11 |
AB4C9D11 |
-130.51 |
2.98 |
-9.57 |
-1.81 |
0 |
|
|
444684 |
135263263 |
1 |
OC18H24 |
AB18C24 |
-25.65 |
3.03 |
-9.49 |
-0.45 |
0 |
|
|
444685 |
135263265 |
1 |
OC14H16 |
AB14C16 |
-11.6 |
3.2 |
-9.14 |
-0.52 |
0 |
|
|
444686 |
135263266 |
1 |
NO3C14H15 |
AB3C14D15 |
-52.9 |
2.96 |
-9.14 |
-0.47 |
0 |
|
|
444687 |
135263267 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-48.64 |
5.77 |
-8.81 |
0.08 |
0 |
|
|
444688 |
135263268 |
2 |
NOC9H11 |
ABC9D11 |
-11.24 |
3.94 |
-8.58 |
0.19 |
0 |
|
|
444689 |
135263269 |
1 |
N3O4C28H29 |
A3B4C28D29 |
-85.21 |
4.32 |
-8.08 |
-1.46 |
0 |
|
|
444690 |
135263270 |
1 |
N2O4C33H38 |
A2B4C33D38 |
-116.71 |
5.77 |
-8.47 |
-0.02 |
0 |
|
|
444691 |
135263271 |
2 |
OC7H8 |
AB7C8 |
-56.51 |
5.62 |
-9.36 |
-0.84 |
0 |
|
|
444692 |
135263272 |
1 |
BrNO2C11H12 |
ABC2D11E12 |
-29.35 |
2.82 |
-9.1 |
-1.05 |
0 |
|
|
444693 |
135263273 |
1 |
SN3O5C30H37 |
AB3C5D30E37 |
-157.3 |
5.46 |
-8.09 |
-0.35 |
0 |
|
|
444694 |
135263274 |
1 |
SO2N5C24H31 |
AB2C5D24E31 |
-27.72 |
8.4 |
-8.58 |
-0.76 |
0 |
|
|
444695 |
135263275 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-78.74 |
4.32 |
-9.18 |
-0.74 |
0 |
|
|
444696 |
135263277 |
1 |
NSO5C12H13 |
ABC5D12E13 |
-148.74 |
3.99 |
-8.98 |
-0.5 |
0 |
|
|
444697 |
135263278 |
1 |
NO2C12H13 |
AB2C12D13 |
-10.9 |
2.88 |
-8.95 |
-0.74 |
0 |
|
|
444698 |
135263279 |
1 |
NO2C11H13 |
AB2C11D13 |
-35.09 |
3.32 |
-8.92 |
-0.44 |
0 |
|
|
444699 |
135263280 |
1 |
OSF3N4C26H29 |
ABC3D4E26F29 |
-138.53 |
8.7 |
-8.24 |
-0.86 |
0 |
|
|
444700 |
135263281 |
1 |
O3N5C28H35 |
A3B5C28D35 |
-51.13 |
3.54 |
-7.99 |
-0.46 |
0 |
|
|
444701 |
135263283 |
1 |
N2O4C31H36 |
A2B4C31D36 |
-139.12 |
6.53 |
-8.59 |
-0.18 |
0 |
|
|
444702 |
135263286 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-87.09 |
5.34 |
-9.04 |
-0.6 |
0 |
|
|
444703 |
135263288 |
1 |
N2O5C22H32 |
A2B5C22D32 |
-233.97 |
3.18 |
-8.7 |
-0.27 |
0 |
|
|
444704 |
135263290 |
1 |
BrN2H15C22 |
AB2C15D22 |
99.45 |
2.45 |
-7.37 |
-0.83 |
0 |
|
|
444705 |
135263291 |
1 |
SN2O4C29H34 |
AB2C4D29E34 |
-109.93 |
7.22 |
-8.61 |
-0.07 |
0 |
|
|
444706 |
135263292 |
1 |
N3O3C29H31 |
A3B3C29D31 |
-48.55 |
2.29 |
-8.62 |
-0.74 |
0 |
|
|
444707 |
135263293 |
1 |
NSO4C13H15 |
ABC4D13E15 |
-146.07 |
9.76 |
-8.98 |
-0.58 |
0 |
|
|
444708 |
135263294 |
1 |
N2O6C13H14 |
A2B6C13D14 |
-146.11 |
5.12 |
-10.02 |
-1.75 |
0 |
|
|
444709 |
135263296 |
1 |
N4O6C41H46 |
A4B6C41D46 |
-191.47 |
3.26 |
-8.73 |
-0.29 |
0 |
|
|
444710 |
135263298 |
1 |
FSN2O4C13H17 |
ABC2D4E13F17 |
-195.65 |
5.04 |
-8.55 |
-0.36 |
0 |
|
|
444711 |
135263299 |
1 |
IN2O5C23H27 |
AB2C5D23E27 |
-161.89 |
2.66 |
-8.85 |
-1.72 |
0 |
|
|
444712 |
135263300 |
1 |
IN2O5C23H27 |
AB2C5D23E27 |
-160.05 |
2.73 |
-8.78 |
-1.61 |
0 |
|
|
444713 |
135263302 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-116.54 |
3.87 |
-8.23 |
-0.03 |
0 |
|
|
444714 |
135263303 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-104.11 |
5.68 |
-8.94 |
-0.61 |
0 |
|
|
444715 |
135263321 |
1 |
O3N4C37H48 |
A3B4C37D48 |
-105.38 |
2.08 |
-8.01 |
0.01 |
0 |
|
|
444716 |
135263329 |
1 |
ClN4O10C65H73 |
AB4C10D65E73 |
-371.2 |
6.41 |
-8.6 |
-1.11 |
0 |
|
|
444717 |
135263330 |
1 |
O3N5C31H39 |
A3B5C31D39 |
-67.33 |
4.01 |
-8.52 |
-0.17 |
0 |
|
|
444718 |
135263354 |
1 |
FN5O5C10H12 |
AB5C5D10E12 |
-115.41 |
10.49 |
-9.4 |
-1.35 |
0 |
|
|
444719 |
135263370 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-145.1 |
7.4 |
-9.17 |
-0.7 |
0 |
|
|
444720 |
135263373 |
2 |
N2O2C8H17 |
A2B2C8D17 |
-225.93 |
4.31 |
-9.11 |
0.72 |
0 |
|
|
444721 |
135263374 |
1 |
FNSO4C15H20 |
ABCD4E15F20 |
-203.76 |
5.0 |
-8.26 |
0.0 |
0 |
|
|
444722 |
135263375 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-31.95 |
23.88 |
-6.84 |
-1.77 |
0 |
|
|
444723 |
135263377 |
1 |
O3N6C32H40 |
A3B6C32D40 |
-40.93 |
6.71 |
-8.54 |
-0.5 |
0 |
|
|
444724 |
135263378 |
1 |
O2N5C29H37 |
A2B5C29D37 |
-21.11 |
4.71 |
-8.53 |
-0.17 |
0 |
|
|
444725 |
135263379 |
1 |
NSO9C19H25 |
ABC9D19E25 |
-379.28 |
2.33 |
-9.22 |
-0.45 |
0 |
|
|
444726 |
135263380 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-171.65 |
4.07 |
-8.78 |
-0.2 |
0 |
|
|
444727 |
135263383 |
1 |
SO4N6C29H38 |
AB4C6D29E38 |
-96.06 |
4.96 |
-8.49 |
-0.05 |
0 |
|
|
444728 |
135263384 |
4 |
NOC9H12 |
ABC9D12 |
-151.83 |
2.34 |
-8.51 |
0.02 |
0 |
|
|
444729 |
135263385 |
1 |
O2C15H18 |
A2B15C18 |
-58.43 |
5.01 |
-9.6 |
-0.53 |
0 |
|
|
444730 |
135263390 |
1 |
NO2C8H11 |
AB2C8D11 |
-73.05 |
3.45 |
-9.29 |
0.25 |
0 |
|
|
444731 |
135263391 |
2 |
NOC7H10 |
ABC7D10 |
-73.4 |
2.35 |
-8.12 |
0.22 |
0 |
|
|
444732 |
135263392 |
2 |
ON2C7H11 |
AB2C7D11 |
-69.99 |
2.47 |
-8.77 |
-0.28 |
0 |
|
|
444733 |
135263393 |
1 |
SO4N5C30H39 |
AB4C5D30E39 |
-104.01 |
6.07 |
-8.04 |
-0.6 |
0 |
|
|
444734 |
135263397 |
1 |
NO4C8H9 |
AB4C8D9 |
-161.24 |
7.51 |
-10.13 |
-0.56 |
0 |
|
|
444735 |
135263398 |
1 |
SO4C10H10 |
AB4C10D10 |
-155.16 |
5.2 |
-10.16 |
-0.78 |
0 |
|
|
444736 |
135263399 |
1 |
O2C17H22 |
A2B17C22 |
-66.11 |
5.37 |
-9.67 |
-0.77 |
0 |
|
|
444737 |
135263400 |
1 |
O3N6C30H38 |
A3B6C30D38 |
-61.57 |
2.28 |
-8.6 |
-0.42 |
0 |
|
|
444738 |
135263402 |
1 |
FO3N4C34H41 |
AB3C4D34E41 |
-123.42 |
8.03 |
-8.24 |
0.02 |
0 |
|
|
444739 |
135263405 |
1 |
OC18H26 |
AB18C26 |
-39.73 |
1.45 |
-9.07 |
0.32 |
0 |
|
|
444740 |
135263406 |
1 |
FOC18H25 |
ABC18D25 |
-87.88 |
1.73 |
-9.36 |
-0.01 |
0 |
|
|
444741 |
135263407 |
1 |
FOC18H25 |
ABC18D25 |
-87.89 |
1.76 |
-9.35 |
-0.01 |
0 |
|
|
444742 |
135263408 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-30.06 |
5.58 |
-8.76 |
-0.83 |
0 |
|
|
444743 |
135263409 |
1 |
O2C21H30 |
A2B21C30 |
-90.24 |
2.44 |
-9.07 |
-0.14 |
0 |
|
|
444744 |
135263410 |
1 |
FO2C16H19 |
AB2C16D19 |
-108.93 |
3.65 |
-9.79 |
-0.84 |
0 |
|
|
444745 |
135263411 |
1 |
SN3O4C33H43 |
AB3C4D33E43 |
-128.45 |
7.36 |
-8.13 |
0.35 |
0 |
|
|
444746 |
135263412 |
1 |
BrNO4C17H18 |
ABC4D17E18 |
-119.88 |
2.55 |
-8.81 |
-0.46 |
0 |
|
|
444747 |
135263413 |
1 |
BrNO2C9H10 |
ABC2D9E10 |
-72.2 |
1.92 |
-9.35 |
-0.59 |
0 |
|
|
444748 |
135263416 |
1 |
SN2O4C21H22 |
AB2C4D21E22 |
-95.87 |
3.59 |
-8.68 |
-0.69 |
0 |
|
|
444749 |
135263421 |
1 |
ClNSO2C17H22 |
ABCD2E17F22 |
-56.56 |
2.18 |
-8.3 |
0.12 |
0 |
|
|
444750 |
135263424 |
1 |
ClSN2O3H17C19 |
ABC2D3E17F19 |
-71.19 |
2.96 |
-8.94 |
-0.88 |
0 |
|
|
444751 |
135263425 |
1 |
ClSN2O4H21C22 |
ABC2D4E21F22 |
-102.34 |
6.28 |
-8.75 |
-0.82 |
0 |
|
|
444752 |
135263427 |
2 |
NO3C14H15 |
AB3C14D15 |
-193.07 |
9.01 |
-8.84 |
-0.62 |
0 |
|
|
444753 |
135263429 |
1 |
BrNO3C16H16 |
ABC3D16E16 |
-83.03 |
1.41 |
-8.95 |
-0.3 |
0 |
|
|
444754 |
135263430 |
1 |
SN2O3H18C19 |
AB2C3D18E19 |
-51.11 |
3.06 |
-9.04 |
-0.89 |
0 |
|
|
444755 |
135263431 |
1 |
SN2O3H18C19 |
AB2C3D18E19 |
-39.79 |
3.84 |
-8.9 |
-0.8 |
0 |
|
|
444756 |
135263432 |
1 |
BrNO2C10H12 |
ABC2D10E12 |
-77.37 |
6.35 |
-8.89 |
-0.47 |
0 |
|
|
444757 |
135263433 |
1 |
SN2F3O3H15C19 |
AB2C3D3E15F19 |
-204.72 |
8.89 |
-9.31 |
-1.57 |
0 |
|
|
444758 |
135263473 |
1 |
BrNO3H14C15 |
ABC3D14E15 |
-79.58 |
5.18 |
-9.07 |
-0.65 |
0 |
|
|
444759 |
135263482 |
1 |
NSO4C13H17 |
ABC4D13E17 |
-153.24 |
7.22 |
-8.59 |
-0.22 |
0 |
|
|
444760 |
135263495 |
1 |
FN2O2C12H13 |
AB2C2D12E13 |
-110.26 |
4.58 |
-8.69 |
-0.4 |
0 |
|
|
444761 |
135263496 |
1 |
NO4C16H17 |
AB4C16D17 |
-125.61 |
5.68 |
-9.27 |
-0.28 |
0 |
|
|
444762 |
135263497 |
1 |
NO4C16H17 |
AB4C16D17 |
-126.8 |
4.53 |
-9.13 |
-0.17 |
0 |
|
|
444763 |
135263498 |
1 |
FN2O2C6H13 |
AB2C2D6E13 |
-149.59 |
2.46 |
-9.68 |
0.66 |
0 |
|
|
444764 |
135263505 |
1 |
SF3C5O5H7 |
AB3C5D5E7 |
-366.75 |
3.35 |
-11.11 |
-1.94 |
0 |
|
|
444765 |
135263507 |
1 |
NO3H15C21 |
AB3C15D21 |
-28.48 |
4.55 |
-9.52 |
-1.38 |
0 |
|
|
444766 |
135263509 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-67.52 |
4.32 |
-8.51 |
-0.09 |
0 |
|
|
444767 |
135263512 |
1 |
NF2O5C16H21 |
AB2C5D16E21 |
-294.5 |
2.85 |
-9.47 |
-0.44 |
0 |
|
|
444768 |
135263513 |
2 |
N2O2C20H23 |
A2B2C20D23 |
-98.51 |
8.47 |
-8.64 |
-0.56 |
0 |
|
|
444769 |
135263514 |
2 |
N2O2C20H23 |
A2B2C20D23 |
-110.49 |
4.53 |
-8.65 |
-0.46 |
0 |
|
|
444770 |
135263516 |
2 |
NOC7H9 |
ABC7D9 |
-61.86 |
4.47 |
-8.36 |
0.08 |
0 |
|
|
444771 |
135263523 |
1 |
O3N4C32H40 |
A3B4C32D40 |
-75.79 |
5.85 |
-7.99 |
0.13 |
0 |
|
|
444772 |
135263524 |
1 |
NO2C14H19 |
AB2C14D19 |
-63.56 |
7.49 |
-10.1 |
-0.93 |
0 |
|
|
444773 |
135263525 |
1 |
NO12C23H29 |
AB12C23D29 |
-505.88 |
3.21 |
-9.35 |
-0.19 |
0 |
|
|
444774 |
135263527 |
1 |
O3N5C31H39 |
A3B5C31D39 |
-73.13 |
5.54 |
-8.46 |
-0.21 |
0 |
|
|
444775 |
135263531 |
1 |
NO2C14H19 |
AB2C14D19 |
0.89 |
7.4 |
-9.5 |
-1.49 |
0 |
|
|
444776 |
135263532 |
1 |
NO3C14H17 |
AB3C14D17 |
-35.86 |
4.82 |
-9.77 |
-1.73 |
0 |
|
|
444777 |
135263533 |
1 |
N2O3C5H8 |
A2B3C5D8 |
-62.64 |
4.36 |
-10.93 |
-1.02 |
0 |
|
|
444778 |
135263534 |
1 |
N2O3C5H6 |
A2B3C5D6 |
-44.41 |
5.06 |
-10.49 |
-0.87 |
0 |
|
|
444779 |
135263535 |
1 |
NO3C12H15 |
AB3C12D15 |
-29.2 |
6.84 |
-9.62 |
-1.68 |
0 |
|
|
444780 |
135263536 |
1 |
NO2C15H21 |
AB2C15D21 |
-15.1 |
7.49 |
-9.42 |
-1.43 |
0 |
|
|
444781 |
135263537 |
1 |
NO2C16H23 |
AB2C16D23 |
-18.89 |
7.4 |
-9.4 |
-1.44 |
0 |