List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
365292 |
127317654 |
1 |
ON7C16H25 |
AB7C16D25 |
42.07 |
5.49 |
-9.26 |
-0.05 |
0 |
|
|
365293 |
127317655 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-47.09 |
4.5 |
-9.06 |
0.04 |
0 |
|
|
365294 |
127317656 |
1 |
S2O3N5C16H23 |
A2B3C5D16E23 |
-45.45 |
4.79 |
-8.32 |
-1.17 |
0 |
|
|
365295 |
127317657 |
1 |
ON4C16H22 |
AB4C16D22 |
16.51 |
4.58 |
-9.07 |
0.7 |
0 |
|
|
365296 |
127317658 |
1 |
SN2O4C15H24 |
AB2C4D15E24 |
-132.83 |
4.7 |
-9.95 |
-0.42 |
0 |
|
|
365297 |
127317659 |
1 |
SO3N5C16H31 |
AB3C5D16E31 |
-106.87 |
4.13 |
-8.57 |
0.12 |
0 |
|
|
365298 |
127317660 |
1 |
ON5C19H33 |
AB5C19D33 |
-35.3 |
5.82 |
-8.66 |
0.42 |
0 |
|
|
365299 |
127317661 |
1 |
N2C15H26 |
A2B15C26 |
-1.28 |
1.79 |
-8.21 |
1.27 |
0 |
|
|
365300 |
127317662 |
1 |
ON2C18H30 |
AB2C18D30 |
-67.81 |
4.75 |
-8.4 |
1.13 |
0 |
|
|
365301 |
127317668 |
1 |
SO4N5C16H21 |
AB4C5D16E21 |
-128.31 |
5.58 |
-8.91 |
-0.64 |
0 |
|
|
365302 |
127317669 |
1 |
N4O4C17H26 |
A4B4C17D26 |
-158.06 |
4.61 |
-8.92 |
-0.17 |
0 |
|
|
365303 |
127317670 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-51.59 |
4.38 |
-9.38 |
0.5 |
0 |
|
|
365304 |
127317671 |
1 |
ON6C20H36 |
AB6C20D36 |
-30.61 |
6.55 |
-8.48 |
0.55 |
0 |
|
|
365305 |
127317672 |
1 |
SO2N4C16H24 |
AB2C4D16E24 |
-61.04 |
4.28 |
-9.11 |
-0.75 |
0 |
|
|
365306 |
127317673 |
1 |
ON2C16H26 |
AB2C16D26 |
-47.67 |
4.19 |
-8.38 |
1.43 |
0 |
|
|
365307 |
127317674 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-124.18 |
4.82 |
-9.27 |
0.61 |
0 |
|
|
365308 |
127317692 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-134.21 |
4.2 |
-8.68 |
0.55 |
0 |
|
|
365309 |
127317693 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-107.42 |
4.22 |
-8.52 |
0.05 |
0 |
|
|
365310 |
127317694 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-88.33 |
4.5 |
-8.28 |
0.01 |
0 |
|
|
365311 |
127317695 |
2 |
ON2C8H13 |
AB2C8D13 |
-21.75 |
0.52 |
-8.41 |
-0.34 |
0 |
|
|
365312 |
127317696 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-99.97 |
3.83 |
-8.43 |
0.28 |
0 |
|
|
365313 |
127317697 |
1 |
ON4C18H30 |
AB4C18D30 |
-33.72 |
5.81 |
-8.54 |
0.87 |
0 |
|
|
365314 |
127317698 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-134.02 |
4.46 |
-8.51 |
0.7 |
0 |
|
|
365315 |
127317699 |
2 |
ON2C7H12 |
AB2C7D12 |
-14.5 |
3.39 |
-8.63 |
-0.27 |
0 |
|
|
365316 |
127317700 |
1 |
ON5C18H31 |
AB5C18D31 |
-20.14 |
5.46 |
-8.57 |
0.46 |
0 |
|
|
365317 |
127317701 |
2 |
ON2C11H16 |
AB2C11D16 |
-62.94 |
3.73 |
-8.56 |
-0.24 |
0 |
|
|
365318 |
127317702 |
1 |
N6C17H24 |
A6B17C24 |
106.29 |
6.98 |
-8.46 |
-0.91 |
0 |
|
|
365319 |
127317703 |
1 |
ON5C17H29 |
AB5C17D29 |
-15.2 |
6.01 |
-8.46 |
0.77 |
0 |
|
|
365320 |
127317704 |
1 |
ON4C16H26 |
AB4C16D26 |
0.54 |
5.72 |
-8.6 |
0.74 |
0 |
|
|
365321 |
127317705 |
1 |
N6C13H22 |
A6B13C22 |
99.15 |
7.06 |
-8.72 |
-0.27 |
0 |
|
|
365322 |
127317706 |
1 |
OSN4C16H22 |
ABC4D16E22 |
13.52 |
4.59 |
-8.61 |
-0.75 |
0 |
|
|
365323 |
127317707 |
2 |
ON2C8H14 |
AB2C8D14 |
-85.48 |
8.87 |
-8.55 |
0.95 |
0 |
|
|
365324 |
127317718 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-91.52 |
3.09 |
-8.33 |
0.06 |
0 |
|
|
365325 |
127317719 |
1 |
ON4C17H28 |
AB4C17D28 |
-28.91 |
6.09 |
-8.59 |
0.88 |
0 |
|
|
365326 |
127317720 |
1 |
N6C13H24 |
A6B13C24 |
64.15 |
7.43 |
-8.7 |
-0.04 |
0 |
|
|
365327 |
127317721 |
1 |
ON4C18H30 |
AB4C18D30 |
-20.47 |
4.07 |
-8.28 |
0.72 |
0 |
|
|
365328 |
127317722 |
2 |
ON2C7H12 |
AB2C7D12 |
-70.33 |
3.02 |
-8.76 |
0.16 |
0 |
|
|
365329 |
127317723 |
1 |
ON5C15H25 |
AB5C15D25 |
-10.69 |
6.24 |
-8.6 |
0.59 |
0 |
|
|
365330 |
127317724 |
1 |
ON2C14H26 |
AB2C14D26 |
-53.14 |
1.66 |
-8.24 |
2.16 |
0 |
|
|
365331 |
127317725 |
1 |
SN3O3C18H33 |
AB3C3D18E33 |
-144.0 |
3.54 |
-8.63 |
0.68 |
0 |
|
|
365332 |
127317726 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-138.1 |
4.29 |
-8.6 |
0.67 |
0 |
|
|
365333 |
127317727 |
2 |
ON2C9H12 |
AB2C9D12 |
1.3 |
3.55 |
-8.48 |
-0.69 |
0 |
|
|
365334 |
127317728 |
1 |
ON3C14H25 |
AB3C14D25 |
-53.4 |
2.73 |
-8.48 |
1.06 |
0 |
|
|
365335 |
127317729 |
1 |
SN3O4C17H31 |
AB3C4D17E31 |
-175.52 |
11.76 |
-8.62 |
0.73 |
0 |
|
|
365336 |
127317735 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-79.19 |
2.59 |
-8.63 |
-0.47 |
0 |
|
|
365337 |
127317736 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-169.54 |
9.37 |
-9.01 |
-0.56 |
0 |
|
|
365338 |
127317737 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-173.44 |
6.77 |
-9.25 |
-0.52 |
0 |
|
|
365339 |
127317738 |
1 |
OSN6C18H26 |
ABC6D18E26 |
18.7 |
10.04 |
-8.42 |
-0.85 |
0 |
|
|
365340 |
127317739 |
1 |
OSN5C13H21 |
ABC5D13E21 |
0.4 |
6.3 |
-9.09 |
-0.44 |
0 |
|
|
365341 |
127317740 |
1 |
OSN5C15H25 |
ABC5D15E25 |
-8.34 |
5.73 |
-9.16 |
-0.38 |
0 |
|
|
365342 |
127317741 |
1 |
SN3O3C16H23 |
AB3C3D16E23 |
-97.38 |
9.65 |
-9.19 |
-0.54 |
0 |
|
|
365343 |
127317742 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-171.57 |
8.11 |
-9.22 |
-0.44 |
0 |
|
|
365344 |
127317743 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-96.03 |
2.71 |
-8.28 |
0.08 |
0 |
|
|
365345 |
127317744 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-126.46 |
6.54 |
-8.17 |
-0.12 |
0 |
|
|
365346 |
127317745 |
1 |
OSN5C14H23 |
ABC5D14E23 |
-2.32 |
5.87 |
-9.19 |
-0.4 |
0 |
|
|
365347 |
127317746 |
1 |
F2N3O3C16H19 |
A2B3C3D16E19 |
-190.32 |
7.7 |
-8.94 |
-0.55 |
0 |
|
|
365348 |
127317747 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-56.68 |
5.63 |
-8.75 |
-0.04 |
0 |
|
|
365349 |
127317748 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-155.24 |
3.73 |
-8.54 |
-0.45 |
0 |
|
|
365350 |
127317749 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-102.93 |
2.73 |
-8.23 |
0.11 |
0 |
|
|
365351 |
127317750 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-143.21 |
3.28 |
-8.37 |
-0.14 |
0 |
|
|
365352 |
127317751 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-135.85 |
2.64 |
-8.25 |
-0.06 |
0 |
|
|
365353 |
127317752 |
1 |
N3O4C21H23 |
A3B4C21D23 |
-135.09 |
5.16 |
-8.24 |
-0.14 |
0 |
|
|
365354 |
127317753 |
2 |
ON2C10H14 |
AB2C10D14 |
-57.22 |
7.68 |
-8.95 |
-0.15 |
0 |
|
|
365355 |
127317754 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-88.21 |
10.92 |
-8.31 |
-0.32 |
0 |
|
|
365356 |
127317755 |
1 |
FO2N4C17H23 |
AB2C4D17E23 |
-108.72 |
2.96 |
-8.73 |
-0.19 |
0 |
|
|
365357 |
127317756 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-56.08 |
5.05 |
-8.87 |
-0.04 |
0 |
|
|
365358 |
127317757 |
2 |
ON2C9H13 |
AB2C9D13 |
-61.77 |
2.27 |
-8.85 |
-0.16 |
0 |
|
|
365359 |
127317758 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-169.53 |
3.71 |
-8.77 |
-0.01 |
0 |
|
|
365360 |
127317759 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-130.9 |
3.1 |
-8.59 |
0.23 |
0 |
|
|
365361 |
127317760 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-94.14 |
5.41 |
-8.14 |
-0.01 |
0 |
|
|
365362 |
127317761 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-159.4 |
5.42 |
-9.12 |
-0.36 |
0 |
|
|
365363 |
127317762 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-160.32 |
5.83 |
-9.12 |
-0.3 |
0 |
|
|
365364 |
127317763 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-131.1 |
4.5 |
-8.84 |
-0.13 |
0 |
|
|
365365 |
127317764 |
2 |
NO2C9H13 |
AB2C9D13 |
-166.6 |
2.83 |
-8.3 |
0.14 |
0 |
|
|
365366 |
127317765 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-129.45 |
4.4 |
-8.59 |
0.16 |
0 |
|
|
365367 |
127317766 |
3 |
NOC6H9 |
ABC6D9 |
-116.54 |
5.33 |
-8.58 |
0.01 |
0 |
|
|
365368 |
127317767 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-154.26 |
5.89 |
-8.49 |
-0.43 |
0 |
|
|
365369 |
127317768 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-172.53 |
3.0 |
-8.15 |
0.12 |
0 |
|
|
365370 |
127317769 |
1 |
OSN5C15H25 |
ABC5D15E25 |
2.03 |
6.31 |
-9.08 |
-0.87 |
0 |
|
|
365371 |
127317770 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-126.12 |
3.87 |
-8.64 |
0.17 |
0 |
|
|
365372 |
127317771 |
2 |
ON2C11H16 |
AB2C11D16 |
-70.78 |
4.44 |
-8.91 |
-0.13 |
0 |
|
|
365373 |
127317772 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-101.05 |
3.98 |
-8.61 |
-0.37 |
0 |
|
|
365374 |
127317773 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-168.03 |
5.08 |
-8.72 |
-0.41 |
0 |
|
|
365375 |
127317774 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-169.4 |
7.41 |
-8.73 |
-0.47 |
0 |
|
|
365376 |
127317775 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-127.35 |
6.56 |
-8.16 |
-0.11 |
0 |
|
|
365377 |
127317776 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-77.01 |
5.2 |
-8.35 |
0.01 |
0 |
|
|
365378 |
127317777 |
1 |
SO2N3C19H29 |
AB2C3D19E29 |
-87.09 |
3.56 |
-8.48 |
0.17 |
0 |
|
|
365379 |
127317778 |
1 |
FN3O3C17H24 |
AB3C3D17E24 |
-171.53 |
4.13 |
-8.5 |
0.07 |
0 |
|
|
365380 |
127317779 |
1 |
FO3N4C21H23 |
AB3C4D21E23 |
-133.45 |
6.92 |
-8.29 |
-0.17 |
0 |
|
|
365381 |
127317780 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-129.03 |
5.31 |
-8.76 |
-0.05 |
0 |
|
|
365382 |
127317781 |
2 |
ON2C10H11 |
AB2C10D11 |
-11.59 |
3.66 |
-8.39 |
-0.43 |
0 |
|
|
365383 |
127317782 |
2 |
ON2C10H11 |
AB2C10D11 |
-20.29 |
2.56 |
-8.45 |
-0.47 |
0 |
|
|
365384 |
127317783 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-24.5 |
6.71 |
-8.58 |
-0.64 |
0 |
|
|
365385 |
127317784 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-170.27 |
2.72 |
-9.27 |
-0.62 |
0 |
|
|
365386 |
127317785 |
1 |
O2F3N4C17H19 |
A2B3C4D17E19 |
-171.81 |
8.3 |
-8.94 |
-1.24 |
0 |
|
|
365387 |
127317786 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-66.71 |
5.3 |
-8.34 |
-0.21 |
0 |
|
|
365388 |
127317787 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-117.47 |
4.85 |
-8.17 |
-0.35 |
0 |
|
|
365389 |
127317788 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-90.84 |
5.62 |
-8.09 |
0.0 |
0 |
|
|
365390 |
127317789 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-67.68 |
2.52 |
-8.35 |
0.0 |
0 |
|
|
365391 |
127317790 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-29.6 |
3.31 |
-8.64 |
-0.71 |
0 |