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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
328596 |
126725882 |
1 |
NH15C22 |
AB15C22 |
134.55 |
2.93 |
-8.5 |
-1.28 |
0 |
|
|
328597 |
126725887 |
1 |
NOH13C20 |
ABC13D20 |
97.48 |
2.73 |
-8.99 |
-0.9 |
0 |
|
|
328598 |
126725889 |
1 |
NH17C22 |
AB17C22 |
89.19 |
2.64 |
-8.8 |
-0.82 |
0 |
|
|
328599 |
126725892 |
1 |
NH17C24 |
AB17C24 |
97.55 |
2.66 |
-8.34 |
-1.27 |
0 |
|
|
328600 |
126725896 |
1 |
N3O5H19C31 |
A3B5C19D31 |
-10.53 |
4.28 |
-8.91 |
-1.14 |
0 |
|
|
328601 |
126725899 |
1 |
SN3O4H19C31 |
AB3C4D19E31 |
18.71 |
4.27 |
-8.58 |
-1.14 |
0 |
|
|
328602 |
126725900 |
1 |
SN3O4H17C27 |
AB3C4D17E27 |
6.65 |
3.97 |
-8.75 |
-1.16 |
0 |
|
|
328603 |
126725901 |
2 |
N2O2H13C19 |
A2B2C13D19 |
45.48 |
4.1 |
-8.33 |
-1.17 |
0 |
|
|
328604 |
126725926 |
1 |
SF3N3H22C26 |
AB3C3D22E26 |
-60.88 |
3.8 |
-8.52 |
-0.8 |
0 |
|
|
328605 |
126725939 |
1 |
PO7C17H35 |
AB7C17D35 |
-424.95 |
4.35 |
-9.78 |
0.18 |
0 |
|
|
328607 |
126725945 |
1 |
N3O10C57H79 |
A3B10C57D79 |
-454.9 |
4.52 |
-8.7 |
-0.81 |
0 |
|
|
328608 |
126725948 |
1 |
N3O8C44H59 |
A3B8C44D59 |
-368.63 |
2.11 |
-8.83 |
-0.41 |
0 |
|
|
328609 |
126725949 |
2 |
N2O4C23H30 |
A2B4C23D30 |
-318.43 |
6.85 |
-8.15 |
-0.74 |
0 |
|
|
328610 |
126725950 |
1 |
INO2C20H22 |
ABC2D20E22 |
-50.45 |
3.29 |
-8.21 |
-0.68 |
0 |
|
|
328611 |
126725951 |
1 |
BrN2O2C12H17 |
AB2C2D12E17 |
-72.31 |
1.63 |
-9.61 |
-0.38 |
0 |
|
|
328612 |
126725952 |
1 |
Br2F3N6O9C56H59 |
A2B3C6D9E56F59 |
-393.97 |
4.17 |
-8.86 |
-1.29 |
0 |
|
|
328613 |
126725959 |
2 |
N2O4H14C15 |
A2B4C14D15 |
-212.53 |
11.12 |
-8.49 |
-1.68 |
0 |
|
|
328614 |
126725964 |
2 |
N5O9H32C33 |
A5B9C32D33 |
-543.58 |
12.66 |
-8.26 |
-0.62 |
0 |
|
|
328615 |
126725968 |
1 |
INO4C20H20 |
ABC4D20E20 |
-52.69 |
6.08 |
-9.47 |
-1.65 |
0 |
|
|
328616 |
126725982 |
2 |
N2O4H17C20 |
A2B4C17D20 |
-85.6 |
3.64 |
-9.13 |
-1.14 |
0 |
|
|
328617 |
126726005 |
1 |
N2S2C19H26 |
A2B2C19D26 |
39.88 |
3.22 |
-8.21 |
-0.22 |
0 |
|
|
328618 |
126726021 |
1 |
O2F7C12H17 |
A2B7C12D17 |
-502.37 |
4.34 |
-11.13 |
0.33 |
0 |
|
|
328619 |
126726028 |
1 |
O2F3N5H22C24 |
A2B3C5D22E24 |
-85.92 |
10.84 |
-9.27 |
-1.07 |
0 |
|
|
328620 |
126726038 |
1 |
NC68H85 |
AB68C85 |
88.34 |
2.32 |
-8.22 |
-0.62 |
0 |
|
|
328621 |
126726040 |
1 |
S2N4O5C28H36 |
A2B4C5D28E36 |
-71.02 |
4.66 |
-8.66 |
-2.38 |
0 |
|
|
328622 |
126726046 |
1 |
ClN2O3H17C19 |
AB2C3D17E19 |
-70.03 |
0.86 |
-9.54 |
-0.63 |
0 |
|
|
328623 |
126726060 |
1 |
OSN2C10H18 |
ABC2D10E18 |
-29.09 |
1.95 |
-8.46 |
-0.03 |
0 |
|
|
328624 |
126726063 |
1 |
OSN2C15H18 |
ABC2D15E18 |
4.92 |
0.49 |
-8.56 |
-0.52 |
0 |
|
|
328625 |
126726085 |
1 |
NSO5H11C12 |
ABC5D11E12 |
-160.2 |
2.39 |
-9.64 |
-1.03 |
0 |
|
|
328626 |
126726093 |
1 |
N3O4H21C27 |
A3B4C21D27 |
-29.23 |
4.27 |
-9.04 |
-1.07 |
0 |
|
|
328627 |
126726098 |
1 |
SN3O6H17C25 |
AB3C6D17E25 |
-73.27 |
5.8 |
-8.64 |
-1.07 |
0 |
|
|
328628 |
126726102 |
1 |
N3O5H21C27 |
A3B5C21D27 |
-60.8 |
5.5 |
-8.85 |
-1.09 |
0 |
|
|
328629 |
126726119 |
1 |
N4O4H42C45 |
A4B4C42D45 |
-0.55 |
5.3 |
-7.9 |
-1.04 |
0 |
|
|
328630 |
126726121 |
1 |
S2N3O4H13C25 |
A2B3C4D13E25 |
56.98 |
3.52 |
-8.7 |
-1.31 |
0 |
|
|
328631 |
126726122 |
1 |
SN3O4H25C29 |
AB3C4D25E29 |
2.09 |
3.57 |
-8.97 |
-1.14 |
0 |
|
|
328632 |
126726136 |
1 |
N3O4H19C33 |
A3B4C19D33 |
68.3 |
3.74 |
-8.37 |
-1.42 |
0 |
|
|
328633 |
126726154 |
1 |
N3O4H25C33 |
A3B4C25D33 |
23.86 |
4.95 |
-8.73 |
-1.1 |
0 |
|
|
328634 |
126726155 |
1 |
SO2N3H15C34 |
AB2C3D15E34 |
342.7 |
3.4 |
-9.03 |
-1.55 |
0 |
|
|
328635 |
126726164 |
1 |
SF3N4C18H19 |
AB3C4D18E19 |
-75.04 |
3.97 |
-9.21 |
-1.34 |
0 |
|
|
328636 |
126726166 |
1 |
SF3N5C17H18 |
AB3C5D17E18 |
-61.58 |
3.31 |
-9.27 |
-1.41 |
0 |
|
|
328637 |
126726169 |
1 |
F6N6H32C33 |
A6B6C32D33 |
-192.8 |
6.17 |
-8.26 |
-0.73 |
0 |
|
|
328638 |
126726177 |
1 |
SN7H25C31 |
AB7C25D31 |
192.53 |
11.93 |
-9.27 |
-1.73 |
0 |
|
|
328639 |
126726180 |
1 |
SF2N4H14C24 |
AB2C4D14E24 |
57.59 |
4.24 |
-8.91 |
-1.42 |
0 |
|
|
328640 |
126726196 |
1 |
S2N3H13C16 |
A2B3C13D16 |
106.9 |
3.18 |
-8.59 |
-0.83 |
0 |
|
|
328641 |
126726201 |
1 |
ON3C19H23 |
AB3C19D23 |
22.73 |
2.73 |
-9.07 |
-0.34 |
0 |
|
|
328642 |
126726203 |
1 |
S2N3H13C19 |
A2B3C13D19 |
123.46 |
3.43 |
-8.43 |
-0.97 |
0 |
|
|
328643 |
126726223 |
1 |
NO3H17C21 |
AB3C17D21 |
15.41 |
5.15 |
-8.93 |
-0.76 |
0 |
|
|
328644 |
126726229 |
1 |
N2O3H16C21 |
A2B3C16D21 |
36.42 |
3.13 |
-9.05 |
-1.11 |
0 |
|
|
328645 |
126726230 |
1 |
SN2O2H16C21 |
AB2C2D16E21 |
90.76 |
3.67 |
-8.7 |
-1.45 |
0 |
|
|
328646 |
126726237 |
1 |
NO3H17C20 |
AB3C17D20 |
-35.62 |
4.28 |
-8.54 |
-0.55 |
0 |
|
|
328647 |
126726240 |
1 |
O4N5C25H25 |
A4B5C25D25 |
-28.52 |
6.54 |
-8.67 |
-1.36 |
0 |
|
|
328648 |
126726258 |
2 |
NOC13H13 |
ABC13D13 |
25.2 |
3.79 |
-8.47 |
-0.17 |
0 |
|
|
328649 |
126726261 |
1 |
N3O3C26H27 |
A3B3C26D27 |
-40.98 |
5.06 |
-8.52 |
-0.2 |
0 |
|
|
328650 |
126726269 |
1 |
O2N3C27H27 |
A2B3C27D27 |
5.31 |
6.28 |
-9.17 |
-0.56 |
0 |
|
|
328651 |
126726282 |
1 |
O2N3C27H27 |
A2B3C27D27 |
9.22 |
2.5 |
-9.22 |
-0.63 |
0 |
|
|
328652 |
126726283 |
1 |
N3O3C29H31 |
A3B3C29D31 |
-58.25 |
4.36 |
-9.26 |
-0.69 |
0 |
|
|
328653 |
126726286 |
1 |
ClO2N3H24C25 |
AB2C3D24E25 |
-9.65 |
3.93 |
-9.1 |
-0.61 |
0 |
|
|
328654 |
126726300 |
1 |
ClN3O3H22C24 |
AB3C3D22E24 |
-42.29 |
2.19 |
-9.18 |
-0.69 |
0 |
|
|
328655 |
126726327 |
1 |
N3O3F4H23C26 |
A3B3C4D23E26 |
-233.51 |
1.57 |
-9.53 |
-0.97 |
0 |
|
|
328656 |
126726332 |
1 |
F2N3O3H23C25 |
A2B3C3D23E25 |
-135.4 |
2.86 |
-9.34 |
-0.79 |
0 |
|
|
328657 |
126726337 |
1 |
N3O4C25H25 |
A3B4C25D25 |
-42.15 |
4.65 |
-9.38 |
-0.83 |
0 |
|
|
328658 |
126726338 |
1 |
N3O3C25H25 |
A3B3C25D25 |
-41.39 |
3.25 |
-9.04 |
-0.41 |
0 |
|
|
328659 |
126726343 |
1 |
N3O3C26H27 |
A3B3C26D27 |
-48.13 |
1.63 |
-9.04 |
-0.4 |
0 |
|
|
328660 |
126726344 |
1 |
O3N4H28C30 |
A3B4C28D30 |
-15.79 |
5.34 |
-8.55 |
-0.72 |
0 |
|
|
328661 |
126726347 |
1 |
O3N4H24C27 |
A3B4C24D27 |
6.91 |
3.45 |
-9.26 |
-0.86 |
0 |
|
|
328662 |
126726366 |
1 |
FO2N3C25H26 |
AB2C3D25E26 |
-52.9 |
5.93 |
-8.76 |
-0.63 |
0 |
|
|
328663 |
126726367 |
1 |
F2O2N3C25H25 |
A2B2C3D25E25 |
-99.71 |
6.05 |
-8.8 |
-0.42 |
0 |
|
|
328664 |
126726415 |
1 |
N3O4C26H27 |
A3B4C26D27 |
-85.75 |
4.36 |
-9.25 |
-0.6 |
0 |
|
|
328665 |
126726416 |
1 |
N3O4C29H31 |
A3B4C29D31 |
-78.1 |
2.98 |
-9.28 |
-0.72 |
0 |
|
|
328666 |
126726419 |
1 |
N3O4C27H27 |
A3B4C27D27 |
-57.6 |
3.71 |
-9.36 |
-0.73 |
0 |
|
|
328667 |
126726456 |
1 |
FO2N3H24C25 |
AB2C3D24E25 |
-44.04 |
3.31 |
-9.27 |
-0.69 |
0 |
|
|
328668 |
126726464 |
2 |
NOH12C14 |
ABC12D14 |
42.27 |
3.71 |
-8.69 |
-0.4 |
0 |
|
|
328669 |
126726466 |
3 |
NOC9H9 |
ABC9D9 |
-19.74 |
2.21 |
-9.37 |
-0.84 |
0 |
|
|
328670 |
126726471 |
1 |
N2O2H30C31 |
A2B2C30D31 |
24.98 |
5.54 |
-8.78 |
-0.45 |
0 |
|
|
328671 |
126726473 |
1 |
N3O3C29H31 |
A3B3C29D31 |
-57.61 |
1.86 |
-9.22 |
-0.61 |
0 |
|
|
328672 |
126726474 |
1 |
O2F3N3H20C24 |
A2B3C3D20E24 |
-128.74 |
3.56 |
-9.22 |
-0.64 |
0 |
|
|
328673 |
126726479 |
1 |
F2O2N3H21C24 |
A2B2C3D21E24 |
-89.73 |
5.01 |
-9.38 |
-0.86 |
0 |
|
|
328674 |
126726483 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-31.71 |
2.75 |
-9.14 |
-0.56 |
0 |
|
|
328675 |
126726484 |
1 |
F2N2O5H28C29 |
A2B2C5D28E29 |
-236.4 |
6.45 |
-9.01 |
-0.44 |
0 |
|
|
328676 |
126726494 |
1 |
O2N3H21C22 |
A2B3C21D22 |
19.84 |
2.76 |
-8.76 |
-0.29 |
0 |
|
|
328677 |
126726511 |
1 |
ClON2H21C23 |
ABC2D21E23 |
34.96 |
6.44 |
-8.86 |
-0.44 |
0 |
|
|
328678 |
126726512 |
1 |
FON3H18C23 |
ABC3D18E23 |
39.07 |
6.4 |
-9.54 |
-1.13 |
0 |
|
|
328679 |
126726515 |
1 |
O2N4H24C27 |
A2B4C24D27 |
62.58 |
2.01 |
-9.4 |
-0.8 |
0 |
|
|
328680 |
126726517 |
1 |
N3O3C28H31 |
A3B3C28D31 |
-58.37 |
3.12 |
-9.19 |
-0.59 |
0 |
|
|
328681 |
126726520 |
1 |
FN3O3C26H26 |
AB3C3D26E26 |
-91.15 |
5.13 |
-9.39 |
-0.9 |
0 |
|
|
328682 |
126726522 |
1 |
N3O4C27H29 |
A3B4C27D29 |
-88.49 |
6.82 |
-8.76 |
-0.43 |
0 |
|
|
328683 |
126726536 |
2 |
FNH9C11 |
ABC9D11 |
-6.48 |
2.65 |
-8.73 |
-0.18 |
0 |
|
|
328684 |
126726542 |
2 |
FON2H11C13 |
ABC2D11E13 |
-57.69 |
3.1 |
-9.42 |
-0.82 |
0 |
|
|
328686 |
126726567 |
2 |
C8N9H14 |
A8B9C14 |
200.94 |
3.34 |
-6.92 |
-0.79 |
0 |
|
|
328687 |
126726568 |
1 |
S3N14C20H32 |
A3B14C20D32 |
111.9 |
6.53 |
-8.96 |
-0.39 |
0 |
|
|
328688 |
126726570 |
1 |
SN3O4C26H37 |
AB3C4D26E37 |
-126.17 |
2.09 |
-8.2 |
-0.04 |
0 |
|
|
328689 |
126726571 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-109.54 |
2.57 |
-8.41 |
-1.13 |
0 |
|
|
328690 |
126726572 |
1 |
SN5O5C23H23 |
AB5C5D23E23 |
-89.12 |
6.36 |
-8.93 |
-1.47 |
0 |
|
|
328691 |
126726575 |
1 |
O3C15H22 |
A3B15C22 |
-82.85 |
0.85 |
-9.67 |
0.75 |
0 |
|
|
328692 |
126726578 |
1 |
OC15H22 |
AB15C22 |
4.14 |
2.89 |
-9.72 |
0.58 |
0 |
|
|
328693 |
126726585 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-11.2 |
2.8 |
-8.96 |
-0.23 |
0 |
|
|
328694 |
126726590 |
1 |
NO2C12H21 |
AB2C12D21 |
-99.34 |
5.53 |
-9.51 |
0.59 |
0 |
|
|
328695 |
126726592 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-170.89 |
3.21 |
-9.66 |
0.71 |
0 |
|
|
328696 |
126726594 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-165.3 |
2.08 |
-9.45 |
0.37 |
0 |
|
|
328697 |
126726595 |
2 |
NO2C7H12 |
AB2C7D12 |
-213.56 |
5.79 |
-9.58 |
0.15 |
0 |