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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
363689 |
127313307 |
1 |
ON6C22H28 |
AB6C22D28 |
33.46 |
6.22 |
-8.59 |
-0.39 |
0 |
|
|
363690 |
127313308 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-86.02 |
7.36 |
-8.7 |
0.82 |
0 |
|
|
363691 |
127313309 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-86.52 |
7.22 |
-8.68 |
-0.84 |
0 |
|
|
363692 |
127313310 |
1 |
SO2N4C19H30 |
AB2C4D19E30 |
-89.84 |
3.78 |
-8.46 |
0.61 |
0 |
|
|
363693 |
127313311 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-76.12 |
7.64 |
-8.75 |
0.78 |
0 |
|
|
363694 |
127313312 |
2 |
ON2C10H15 |
AB2C10D15 |
-90.13 |
5.63 |
-8.81 |
0.69 |
0 |
|
|
363695 |
127313313 |
1 |
ClON5C20H22 |
ABC5D20E22 |
31.43 |
6.46 |
-8.76 |
-0.45 |
0 |
|
|
363696 |
127313314 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-61.69 |
8.26 |
-8.56 |
-0.99 |
0 |
|
|
363697 |
127313315 |
1 |
O2N6C19H22 |
A2B6C19D22 |
6.26 |
4.63 |
-8.73 |
-1.22 |
0 |
|
|
363698 |
127313316 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-51.1 |
3.58 |
-8.64 |
-0.48 |
0 |
|
|
363699 |
127313317 |
1 |
FON5C21H24 |
ABC5D21E24 |
-27.44 |
4.21 |
-8.75 |
-1.1 |
0 |
|
|
363700 |
127313318 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-111.3 |
3.48 |
-9.02 |
-0.56 |
0 |
|
|
363701 |
127313319 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-122.51 |
2.58 |
-9.27 |
-0.59 |
0 |
|
|
363702 |
127313320 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-92.25 |
4.27 |
-9.33 |
-0.55 |
0 |
|
|
363703 |
127313321 |
1 |
SO2N4C16H26 |
AB2C4D16E26 |
-61.16 |
4.32 |
-8.49 |
0.2 |
0 |
|
|
363704 |
127313322 |
1 |
S2N3O3C18H25 |
A2B3C3D18E25 |
-106.81 |
10.06 |
-8.75 |
-0.74 |
0 |
|
|
363705 |
127313323 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-131.04 |
3.82 |
-9.31 |
-0.43 |
0 |
|
|
363706 |
127313324 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-122.7 |
2.85 |
-9.35 |
-0.48 |
0 |
|
|
363707 |
127313325 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-112.13 |
7.24 |
-8.94 |
-0.62 |
0 |
|
|
363708 |
127313326 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-110.9 |
2.4 |
-9.36 |
-0.44 |
0 |
|
|
363709 |
127313327 |
1 |
S2N3O3C16H21 |
A2B3C3D16E21 |
-114.56 |
3.9 |
-9.15 |
-0.32 |
0 |
|
|
363710 |
127313328 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-81.6 |
2.37 |
-8.64 |
0.1 |
0 |
|
|
363711 |
127313329 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-38.87 |
3.76 |
-9.15 |
-1.08 |
0 |
|
|
363712 |
127313330 |
1 |
SO2N6C18H22 |
AB2C6D18E22 |
51.45 |
5.76 |
-8.9 |
-0.95 |
0 |
|
|
363713 |
127313331 |
1 |
O2S2N6C15H16 |
A2B2C6D15E16 |
80.43 |
3.89 |
-9.39 |
-1.53 |
0 |
|
|
363714 |
127313332 |
1 |
SO2N4C20H28 |
AB2C4D20E28 |
-10.07 |
2.89 |
-9.02 |
-1.04 |
0 |
|
|
363715 |
127313333 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
4.36 |
2.36 |
-9.06 |
-1.01 |
0 |
|
|
363716 |
127313334 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
27.48 |
4.45 |
-9.13 |
-1.1 |
0 |
|
|
363717 |
127313335 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-132.59 |
7.57 |
-8.78 |
0.74 |
0 |
|
|
363718 |
127313336 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-50.91 |
4.69 |
-8.74 |
-0.6 |
0 |
|
|
363719 |
127313337 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-142.94 |
6.45 |
-8.61 |
1.1 |
0 |
|
|
363720 |
127313338 |
1 |
O2N6C19H26 |
A2B6C19D26 |
-3.9 |
9.09 |
-8.83 |
-0.92 |
0 |
|
|
363721 |
127313339 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-89.14 |
4.45 |
-8.99 |
-0.72 |
0 |
|
|
363722 |
127313340 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-128.75 |
8.68 |
-8.45 |
-0.93 |
0 |
|
|
363723 |
127313341 |
1 |
ClO2N5C18H28 |
AB2C5D18E28 |
-67.14 |
4.01 |
-8.78 |
0.1 |
0 |
|
|
363724 |
127313342 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-67.66 |
5.5 |
-8.78 |
-0.19 |
0 |
|
|
363725 |
127313343 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-63.58 |
10.25 |
-8.63 |
0.01 |
0 |
|
|
363726 |
127313344 |
1 |
SO2N4C16H24 |
AB2C4D16E24 |
-52.6 |
2.42 |
-9.07 |
-1.15 |
0 |
|
|
363727 |
127313345 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-73.0 |
6.57 |
-8.92 |
0.36 |
0 |
|
|
363728 |
127313346 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-147.04 |
7.12 |
-8.68 |
0.55 |
0 |
|
|
363729 |
127313359 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-88.72 |
5.57 |
-8.78 |
-0.12 |
0 |
|
|
363730 |
127313360 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-68.05 |
3.78 |
-8.77 |
-1.2 |
0 |
|
|
363731 |
127313361 |
1 |
BrO2N4C17H23 |
AB2C4D17E23 |
-42.89 |
5.19 |
-8.8 |
-1.31 |
0 |
|
|
363732 |
127313362 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-45.71 |
5.85 |
-8.7 |
-1.2 |
0 |
|
|
363733 |
127313363 |
1 |
O2F3N4C18H23 |
A2B3C4D18E23 |
-206.12 |
4.13 |
-8.87 |
-1.63 |
0 |
|
|
363734 |
127313364 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-67.86 |
5.48 |
-8.77 |
-0.59 |
0 |
|
|
363735 |
127313365 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-42.4 |
6.16 |
-8.63 |
-0.87 |
0 |
|
|
363736 |
127313366 |
3 |
NOC7H9 |
ABC7D9 |
-81.02 |
7.17 |
-8.74 |
-0.87 |
0 |
|
|
363737 |
127313367 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-56.36 |
7.7 |
-8.75 |
-0.01 |
0 |
|
|
363738 |
127313374 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-95.84 |
7.18 |
-8.71 |
-0.78 |
0 |
|
|
363739 |
127313375 |
1 |
SO2N4C20H32 |
AB2C4D20E32 |
-81.8 |
7.49 |
-9.02 |
-0.89 |
0 |
|
|
363740 |
127313376 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-41.36 |
7.64 |
-8.6 |
-0.01 |
0 |
|
|
363741 |
127313377 |
2 |
ON2C11H15 |
AB2C11D15 |
-64.35 |
4.88 |
-8.37 |
-0.51 |
0 |
|
|
363742 |
127313378 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-75.59 |
8.71 |
-8.57 |
-1.74 |
0 |
|
|
363743 |
127313379 |
1 |
N3O4C16H27 |
A3B4C16D27 |
-166.6 |
6.82 |
-8.68 |
0.72 |
0 |
|
|
363744 |
127313382 |
2 |
ON3C9H12 |
AB3C9D12 |
-4.56 |
9.81 |
-8.58 |
-1.49 |
0 |
|
|
363745 |
127313383 |
1 |
O2N6C21H30 |
A2B6C21D30 |
-31.29 |
6.96 |
-8.84 |
-0.72 |
0 |
|
|
363746 |
127313384 |
1 |
ClO2N3C21H28 |
AB2C3D21E28 |
-56.72 |
4.54 |
-8.76 |
-0.49 |
0 |
|
|
363747 |
127313385 |
1 |
SO2N5C19H27 |
AB2C5D19E27 |
-24.39 |
7.79 |
-8.73 |
-0.71 |
0 |
|
|
363748 |
127313386 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-57.06 |
3.31 |
-8.63 |
-0.28 |
0 |
|
|
363749 |
127313387 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-107.91 |
3.42 |
-8.74 |
-0.5 |
0 |
|
|
363750 |
127313388 |
1 |
SO3N5C18H25 |
AB3C5D18E25 |
-94.81 |
9.75 |
-8.6 |
-1.47 |
0 |
|
|
363751 |
127313389 |
1 |
SO2N5C16H25 |
AB2C5D16E25 |
-35.79 |
4.3 |
-8.82 |
-1.49 |
0 |
|
|
363752 |
127313390 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-132.55 |
2.86 |
-8.75 |
0.43 |
0 |
|
|
363753 |
127313391 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-46.66 |
3.09 |
-9.03 |
0.3 |
0 |
|
|
363754 |
127313392 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-146.14 |
7.15 |
-8.65 |
0.86 |
0 |
|
|
363755 |
127313393 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-108.09 |
5.44 |
-8.71 |
-0.16 |
0 |
|
|
363756 |
127313394 |
1 |
SO2N4C15H22 |
AB2C4D15E22 |
-41.62 |
6.22 |
-8.68 |
-1.11 |
0 |
|
|
363757 |
127313395 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-25.41 |
7.31 |
-8.6 |
-1.02 |
0 |
|
|
363758 |
127313398 |
1 |
SO2N5C14H21 |
AB2C5D14E21 |
-18.89 |
6.41 |
-8.89 |
-1.81 |
0 |
|
|
363759 |
127313399 |
2 |
ON3C7H11 |
AB3C7D11 |
-20.12 |
7.06 |
-8.76 |
-0.66 |
0 |
|
|
363760 |
127313400 |
1 |
FO2N5C19H24 |
AB2C5D19E24 |
-79.49 |
9.99 |
-8.57 |
-1.2 |
0 |
|
|
363761 |
127313401 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-50.81 |
6.09 |
-8.79 |
-0.49 |
0 |
|
|
363762 |
127313402 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-67.23 |
5.44 |
-8.62 |
0.45 |
0 |
|
|
363763 |
127313403 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-110.41 |
6.96 |
-8.71 |
1.06 |
0 |
|
|
363764 |
127313404 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-57.24 |
6.35 |
-8.91 |
-1.0 |
0 |
|
|
363765 |
127313405 |
1 |
SO3N5C17H25 |
AB3C5D17E25 |
-89.69 |
9.63 |
-8.61 |
-1.0 |
0 |
|
|
363766 |
127313406 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-142.71 |
7.31 |
-8.59 |
0.47 |
0 |
|
|
363767 |
127313407 |
1 |
SO2N5C14H21 |
AB2C5D14E21 |
-20.54 |
3.85 |
-8.77 |
-1.5 |
0 |
|
|
363768 |
127313408 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-107.32 |
7.62 |
-8.57 |
-1.17 |
0 |
|
|
363769 |
127313409 |
1 |
FO2N3C21H28 |
AB2C3D21E28 |
-94.6 |
4.61 |
-8.74 |
-0.4 |
0 |
|
|
363770 |
127313410 |
1 |
ClO2N3C21H28 |
AB2C3D21E28 |
-56.54 |
5.22 |
-8.8 |
-0.46 |
0 |
|
|
363771 |
127313411 |
2 |
ON3C10H14 |
AB3C10D14 |
-19.81 |
3.52 |
-8.93 |
-0.86 |
0 |
|
|
363772 |
127313412 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-109.72 |
7.37 |
-8.8 |
-0.34 |
0 |
|
|
363773 |
127313413 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-112.92 |
6.13 |
-8.79 |
-0.7 |
0 |
|
|
363774 |
127313414 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-39.54 |
4.51 |
-8.71 |
0.18 |
0 |
|
|
363775 |
127313415 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-17.48 |
5.45 |
-8.74 |
-1.56 |
0 |
|
|
363776 |
127313416 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-84.54 |
10.62 |
-8.57 |
-1.63 |
0 |
|
|
363777 |
127313417 |
1 |
O4N5C18H27 |
A4B5C18D27 |
-156.01 |
7.49 |
-8.88 |
-0.5 |
0 |
|
|
363778 |
127313418 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-79.09 |
8.1 |
-8.69 |
-0.14 |
0 |
|
|
363779 |
127313419 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-146.85 |
9.21 |
-8.69 |
0.85 |
0 |
|
|
363780 |
127313420 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-61.74 |
5.75 |
-8.63 |
-0.45 |
0 |
|
|
363781 |
127313421 |
2 |
ON2C11H14 |
AB2C11D14 |
-37.94 |
5.76 |
-9.1 |
-0.99 |
0 |
|
|
363782 |
127313422 |
1 |
SO2N4C16H24 |
AB2C4D16E24 |
-56.39 |
8.17 |
-8.8 |
-1.16 |
0 |
|
|
363783 |
127313423 |
1 |
ClO2N5C19H28 |
AB2C5D19E28 |
-61.41 |
6.6 |
-8.83 |
-1.23 |
0 |
|
|
363784 |
127313424 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-47.41 |
5.74 |
-8.97 |
0.34 |
0 |
|
|
363785 |
127313425 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-61.53 |
8.38 |
-8.67 |
0.17 |
0 |
|
|
363786 |
127313426 |
1 |
O3N5C20H35 |
A3B5C20D35 |
-140.23 |
4.2 |
-8.71 |
0.82 |
0 |
|
|
363787 |
127313434 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-17.3 |
4.35 |
-8.78 |
-1.47 |
0 |
|
|
363788 |
127313435 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-71.42 |
4.67 |
-8.77 |
-0.51 |
0 |