List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373692 |
131318841 |
1 |
BrNO3C11H12 |
ABC3D11E12 |
-102.0 |
0.3 |
-9.52 |
-0.99 |
0 |
|
|
373693 |
131318847 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-54.95 |
3.68 |
-8.1 |
-0.34 |
0 |
|
|
373694 |
131318863 |
1 |
N4C11H14 |
A4B11C14 |
55.72 |
3.39 |
-9.44 |
-0.09 |
0 |
|
|
373695 |
131318869 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-57.19 |
4.67 |
-9.14 |
-0.46 |
0 |
|
|
373696 |
131318871 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-52.96 |
5.2 |
-8.98 |
-0.21 |
0 |
|
|
373697 |
131318883 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-59.55 |
2.84 |
-8.46 |
-0.24 |
0 |
|
|
373698 |
131318896 |
2 |
NC7H9 |
AB7C9 |
29.93 |
5.79 |
-9.11 |
-0.56 |
0 |
|
|
373699 |
131318899 |
1 |
N2F3H9C11 |
A2B3C9D11 |
-115.64 |
3.82 |
-8.99 |
-0.61 |
0 |
|
|
373700 |
131318935 |
1 |
F3N3H8C9 |
A3B3C8D9 |
-104.34 |
4.06 |
-10.23 |
-1.34 |
0 |
|
|
373701 |
131318943 |
1 |
FO3C11H13 |
AB3C11D13 |
-177.76 |
2.6 |
-8.9 |
-0.26 |
0 |
|
|
373702 |
131318970 |
1 |
SF2O2H8C10 |
AB2C2D8E10 |
-155.32 |
3.05 |
-8.83 |
-1.12 |
0 |
|
|
373703 |
131318990 |
1 |
SF2O2H8C11 |
AB2C2D8E11 |
-135.16 |
4.16 |
-9.23 |
-1.31 |
0 |
|
|
373704 |
131318999 |
1 |
SF2O2H8C11 |
AB2C2D8E11 |
-136.79 |
4.14 |
-9.4 |
-1.4 |
0 |
|
|
373705 |
131319013 |
1 |
INSO2H6C11 |
ABCD2E6F11 |
8.05 |
2.23 |
-9.36 |
-1.71 |
0 |
|
|
373706 |
131319023 |
2 |
N2C3H3 |
A2B3C3 |
79.57 |
8.02 |
-9.67 |
-1.24 |
0 |
|
|
373707 |
131319025 |
1 |
FSO2H11C12 |
ABC2D11E12 |
-112.99 |
6.11 |
-9.22 |
-1.02 |
0 |
|
|
373708 |
131319032 |
1 |
BrFNO2H9C11 |
ABCD2E9F11 |
-83.2 |
3.25 |
-8.79 |
-0.98 |
0 |
|
|
373709 |
131319033 |
1 |
BrFNO2H9C11 |
ABCD2E9F11 |
-87.47 |
2.15 |
-8.97 |
-1.06 |
0 |
|
|
373710 |
131319040 |
1 |
BrN3O3H8C9 |
AB3C3D8E9 |
-13.5 |
9.17 |
-9.38 |
-1.96 |
0 |
|
|
373711 |
131319041 |
1 |
BrN3O3H8C9 |
AB3C3D8E9 |
-20.95 |
0.27 |
-10.41 |
-1.85 |
0 |
|
|
373712 |
131319061 |
1 |
BrON3C11H12 |
ABC3D11E12 |
18.11 |
7.81 |
-9.15 |
-0.53 |
0 |
|
|
373713 |
131319071 |
1 |
O2S2N3C9H9 |
A2B2C3D9E9 |
-25.97 |
5.96 |
-8.91 |
-1.17 |
0 |
|
|
373714 |
131319108 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-48.57 |
2.3 |
-9.81 |
-0.55 |
0 |
|
|
373715 |
131319160 |
1 |
BrF2N2O2H5C9 |
AB2C2D2E5F9 |
-141.63 |
8.79 |
-10.06 |
-1.47 |
0 |
|
|
373716 |
131319174 |
1 |
ClON3C11H12 |
ABC3D11E12 |
15.11 |
6.29 |
-8.91 |
-0.37 |
0 |
|
|
373717 |
131319192 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-85.73 |
2.31 |
-8.57 |
-0.86 |
0 |
|
|
373718 |
131319214 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-86.8 |
4.15 |
-9.45 |
-1.63 |
0 |
|
|
373719 |
131319216 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-82.26 |
5.38 |
-9.47 |
-1.47 |
0 |
|
|
373720 |
131319235 |
2 |
NC4H7 |
AB4C7 |
4.9 |
4.04 |
-9.3 |
1.35 |
0 |
|
|
373721 |
131319288 |
1 |
OSN2H6C8 |
ABC2D6E8 |
38.43 |
3.66 |
-9.26 |
-1.72 |
0 |
|
|
373722 |
131319296 |
1 |
N2C9H14 |
A2B9C14 |
25.39 |
4.46 |
-9.2 |
-0.21 |
0 |
|
|
373723 |
131319297 |
1 |
N4C7H10 |
A4B7C10 |
47.39 |
3.13 |
-9.18 |
0.51 |
0 |
|
|
373724 |
131319303 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-51.31 |
3.96 |
-9.46 |
0.02 |
0 |
|
|
373725 |
131319343 |
1 |
SF2N2H8C11 |
AB2C2D8E11 |
-40.14 |
3.35 |
-8.68 |
-1.0 |
0 |
|
|
373726 |
131319365 |
1 |
FN2C10H11 |
AB2C10D11 |
-13.48 |
4.25 |
-8.77 |
-0.21 |
0 |
|
|
373727 |
131319397 |
2 |
O2H4C5 |
A2B4C5 |
-132.73 |
3.12 |
-9.87 |
-1.35 |
0 |
|
|
373728 |
131319400 |
1 |
INO2C11H12 |
ABC2D11E12 |
-41.44 |
4.39 |
-9.76 |
-1.31 |
0 |
|
|
373729 |
131319431 |
1 |
BO2N3C6H10 |
AB2C3D6E10 |
-90.28 |
2.01 |
-9.7 |
0.27 |
0 |
|
|
373730 |
131319440 |
1 |
BrNO4C9H10 |
ABC4D9E10 |
-137.34 |
5.56 |
-10.43 |
-1.42 |
0 |
|
|
373731 |
131319460 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-61.88 |
8.05 |
-9.62 |
-1.98 |
0 |
|
|
373732 |
131319471 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-61.65 |
4.46 |
-9.52 |
-1.5 |
0 |
|
|
373733 |
131319473 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-63.18 |
4.14 |
-9.41 |
-1.44 |
0 |
|
|
373734 |
131319477 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-54.72 |
4.73 |
-9.62 |
-1.56 |
0 |
|
|
373735 |
131319481 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-61.13 |
6.08 |
-9.37 |
-1.57 |
0 |
|
|
373736 |
131319483 |
1 |
IN2O4H7C8 |
AB2C4D7E8 |
-54.82 |
6.08 |
-9.4 |
-1.67 |
0 |
|
|
373737 |
131319489 |
1 |
BrClNO2H7C8 |
ABCD2E7F8 |
-74.35 |
3.66 |
-10.19 |
-1.02 |
0 |
|
|
373738 |
131319539 |
1 |
ClOS2C11H11 |
ABC2D11E11 |
-11.46 |
4.35 |
-8.25 |
-0.76 |
0 |
|
|
373739 |
131319547 |
1 |
FNSO2C10H12 |
ABCD2E10F12 |
-94.07 |
4.0 |
-9.69 |
-0.85 |
0 |
|
|
373740 |
131319549 |
1 |
ClNO2C12H12 |
ABC2D12E12 |
-52.54 |
4.25 |
-10.15 |
-1.16 |
0 |
|
|
373741 |
131319578 |
1 |
ClOSF3H6C10 |
ABCD3E6F10 |
-170.32 |
2.78 |
-9.33 |
-1.48 |
0 |
|
|
373742 |
131319585 |
1 |
ClSO4H7C10 |
ABC4D7E10 |
-131.17 |
4.49 |
-8.78 |
-1.18 |
0 |
|
|
373743 |
131319620 |
1 |
NOSC10H13 |
ABCD10E13 |
-19.33 |
2.91 |
-8.46 |
-0.08 |
0 |
|
|
373744 |
131319624 |
1 |
ClFNOH7C8 |
ABCDE7F8 |
-64.61 |
3.26 |
-9.16 |
-0.58 |
0 |
|
|
373745 |
131319625 |
1 |
NOF2H7C8 |
ABC2D7E8 |
-101.12 |
3.4 |
-9.25 |
-0.52 |
0 |
|
|
373746 |
131319627 |
1 |
FNO2C9H10 |
ABC2D9E10 |
-92.24 |
1.99 |
-8.48 |
-0.26 |
0 |
|
|
373747 |
131319628 |
1 |
FNO2C9H10 |
ABC2D9E10 |
-92.24 |
1.99 |
-8.49 |
-0.26 |
0 |
|
|
373748 |
131319629 |
1 |
NO2C10H13 |
AB2C10D13 |
-62.51 |
3.6 |
-8.92 |
0.16 |
0 |
|
|
373749 |
131319654 |
1 |
ClNSF3O4H7C8 |
ABCD3E4F7G8 |
-287.72 |
10.68 |
-10.23 |
-1.61 |
0 |
|
|
373750 |
131319661 |
1 |
BrClSF2H2N2O4C6 |
ABCD2E2F2G4H6 |
-127.39 |
2.78 |
-11.39 |
-2.78 |
0 |
|
|
373751 |
131319673 |
1 |
FNO3C10H12 |
ABC3D10E12 |
-159.26 |
4.59 |
-8.97 |
-0.37 |
0 |
|
|
373752 |
131319682 |
1 |
PN2O4C5H13 |
AB2C4D5E13 |
-235.55 |
4.42 |
-9.39 |
0.74 |
0 |
|
|
373753 |
131319685 |
1 |
NOC10H13 |
ABC10D13 |
-35.99 |
2.35 |
-8.37 |
0.36 |
0 |
|
|
373754 |
131319699 |
1 |
N3C13H15 |
A3B13C15 |
61.49 |
3.84 |
-9.44 |
-0.43 |
0 |
|
|
373755 |
131319705 |
1 |
BrN2C13H17 |
AB2C13D17 |
68.75 |
1.67 |
-9.44 |
-0.14 |
0 |
|
|
373756 |
131319710 |
1 |
ClBr2N2H9C11 |
AB2C2D9E11 |
57.25 |
2.63 |
-9.64 |
-0.75 |
0 |
|
|
373757 |
131319712 |
1 |
ClIN2C12H12 |
ABC2D12E12 |
58.7 |
3.41 |
-9.43 |
-0.92 |
0 |
|
|
373758 |
131319719 |
1 |
OSN3C10H13 |
ABC3D10E13 |
15.27 |
6.12 |
-7.81 |
-0.62 |
0 |
|
|
373759 |
131319720 |
1 |
OSN3C10H13 |
ABC3D10E13 |
17.01 |
8.98 |
-8.1 |
-0.7 |
0 |
|
|
373760 |
131319730 |
1 |
FINO4H5C9 |
ABCD4E5F9 |
-73.87 |
3.94 |
-10.57 |
-2.2 |
0 |
|
|
373761 |
131319742 |
1 |
ClNO2F3H3S3C8 |
ABC2D3E3F3G8 |
-174.58 |
5.16 |
-9.87 |
-2.54 |
0 |
|
|
373762 |
131319767 |
1 |
FON2H11C12 |
ABC2D11E12 |
-19.91 |
3.43 |
-9.65 |
-0.37 |
0 |
|
|
373763 |
131319775 |
2 |
NOC6H7 |
ABC6D7 |
-23.39 |
7.16 |
-8.79 |
-0.31 |
0 |
|
|
373764 |
131319781 |
1 |
INOC10H12 |
ABCD10E12 |
16.13 |
2.59 |
-8.3 |
-0.74 |
0 |
|
|
373765 |
131319796 |
1 |
ClNOH10C12 |
ABCD10E12 |
0.79 |
1.56 |
-9.64 |
-0.76 |
0 |
|
|
373766 |
131319836 |
1 |
ClNOC12H18 |
ABCD12E18 |
-58.4 |
1.86 |
-9.28 |
-0.26 |
0 |
|
|
373767 |
131319841 |
1 |
NF2O2C10H13 |
AB2C2D10E13 |
-160.05 |
1.67 |
-9.19 |
-0.22 |
0 |
|
|
373768 |
131319859 |
1 |
BrFON3H5C10 |
ABCD3E5F10 |
-16.12 |
9.02 |
-9.6 |
-1.39 |
0 |
|
|
373769 |
131319879 |
1 |
BrNCl2O3H4C8 |
ABC2D3E4F8 |
-23.82 |
4.54 |
-10.4 |
-2.12 |
0 |
|
|
373770 |
131319883 |
2 |
NO3H10C12 |
AB3C10D12 |
-173.29 |
6.94 |
-8.9 |
-1.25 |
0 |
|
|
373771 |
131319884 |
2 |
NO3H10C12 |
AB3C10D12 |
-172.31 |
5.73 |
-8.91 |
-1.4 |
0 |
|
|
373772 |
131319909 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-67.04 |
4.38 |
-8.91 |
0.6 |
0 |
|
|
373773 |
131319936 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-79.77 |
2.71 |
-9.41 |
-0.65 |
0 |
|
|
373774 |
131319947 |
1 |
INOF3H3C8 |
ABCD3E3F8 |
-119.73 |
2.34 |
-10.2 |
-1.76 |
0 |
|
|
373775 |
131319975 |
1 |
SN2O3H6C10 |
AB2C3D6E10 |
22.52 |
5.09 |
-9.71 |
-2.19 |
0 |
|
|
373776 |
131319987 |
1 |
BrOSN2C10H11 |
ABCD2E10F11 |
-23.67 |
4.91 |
-8.05 |
-0.26 |
0 |
|
|
373777 |
131319990 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-87.48 |
4.35 |
-8.91 |
-0.26 |
0 |
|
|
373778 |
131320040 |
1 |
FN2O2C11H11 |
AB2C2D11E11 |
-69.98 |
3.76 |
-9.31 |
-1.04 |
0 |
|
|
373779 |
131320042 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-113.47 |
2.62 |
-9.37 |
-1.06 |
0 |
|
|
373780 |
131320049 |
1 |
NOF4C10H11 |
ABC4D10E11 |
-240.76 |
3.24 |
-9.88 |
-0.94 |
0 |
|
|
373781 |
131320057 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-99.99 |
5.32 |
-8.77 |
-0.37 |
0 |
|
|
373782 |
131320058 |
1 |
NO4C11H11 |
AB4C11D11 |
-147.14 |
6.16 |
-10.38 |
-1.13 |
0 |
|
|
373783 |
131320059 |
2 |
OC7H7 |
AB7C7 |
-56.14 |
1.54 |
-9.17 |
-0.93 |
0 |
|
|
373784 |
131320061 |
1 |
NF5C10H10 |
AB5C10D10 |
-239.48 |
3.35 |
-9.97 |
-1.25 |
0 |
|
|
373785 |
131320064 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-81.09 |
2.58 |
-8.18 |
-0.09 |
0 |
|
|
373786 |
131320065 |
1 |
BrClNO2C11H13 |
ABCD2E11F13 |
-75.89 |
5.28 |
-9.7 |
-0.53 |
0 |
|
|
373787 |
131320071 |
4 |
NC3H3 |
AB3C3 |
85.7 |
7.04 |
-9.24 |
-0.73 |
0 |
|
|
373788 |
131320079 |
1 |
ClNO2C12H16 |
ABC2D12E16 |
-82.88 |
0.5 |
-9.2 |
-0.22 |
0 |
|
|
373789 |
131320080 |
1 |
FNOC13H18 |
ABCD13E18 |
-91.24 |
3.55 |
-8.96 |
-0.24 |
0 |
|
|
373790 |
131320099 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-134.1 |
2.33 |
-8.68 |
-0.88 |
0 |
|
|
373791 |
131320105 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-142.72 |
2.24 |
-8.84 |
-0.85 |
0 |