List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
89648 |
49963264 |
1 |
O3C20H20 |
A3B20C20 |
-70.53 |
2.45 |
-8.21 |
-0.12 |
0 |
|
|
89649 |
49963265 |
1 |
O3H20C23 |
A3B20C23 |
-42.5 |
4.65 |
-8.18 |
-0.61 |
0 |
|
|
89650 |
49963266 |
1 |
O2H18C19 |
A2B18C19 |
-31.41 |
2.64 |
-8.41 |
-0.29 |
0 |
|
|
89651 |
49963268 |
1 |
FNO2H16C19 |
ABC2D16E19 |
-45.62 |
2.67 |
-9.12 |
-0.31 |
0 |
|
|
89652 |
49963271 |
2 |
OH11C14 |
AB11C14 |
31.71 |
3.64 |
-8.18 |
-0.87 |
0 |
|
|
89653 |
49963276 |
1 |
NO3H17C21 |
AB3C17D21 |
-18.09 |
2.96 |
-9.14 |
-0.55 |
0 |
|
|
89654 |
49963279 |
1 |
O5C23H24 |
A5B23C24 |
-132.91 |
2.12 |
-8.7 |
0.17 |
0 |
|
|
89655 |
49963298 |
1 |
Cl2O3H14C15 |
A2B3C14D15 |
-88.36 |
4.04 |
-8.55 |
-0.4 |
0 |
|
|
89656 |
49963299 |
1 |
NO2C19H19 |
AB2C19D19 |
-8.44 |
6.19 |
-8.38 |
-0.29 |
0 |
|
|
89657 |
49963324 |
1 |
Cl2O2H14C15 |
A2B2C14D15 |
-63.12 |
3.13 |
-8.79 |
-0.2 |
0 |
|
|
89658 |
49963337 |
1 |
OCl2H14C21 |
AB2C14D21 |
27.27 |
2.62 |
-8.44 |
-1.12 |
0 |
|
|
89659 |
49963338 |
1 |
OCl2N2H12C15 |
AB2C2D12E15 |
12.22 |
2.72 |
-9.12 |
-0.67 |
0 |
|
|
89660 |
49963342 |
1 |
O2H20C21 |
A2B20C21 |
-20.13 |
3.73 |
-9.01 |
-0.02 |
0 |
|
|
89661 |
49963343 |
1 |
O2H20C21 |
A2B20C21 |
-20.45 |
2.57 |
-8.83 |
0.04 |
0 |
|
|
89662 |
49963394 |
2 |
NOH9C10 |
ABC9D10 |
4.3 |
4.91 |
-8.65 |
-0.57 |
0 |
|
|
89663 |
49963407 |
1 |
O2F3H17C21 |
A2B3C17D21 |
-169.01 |
5.65 |
-9.15 |
-0.47 |
0 |
|
|
89664 |
49963416 |
1 |
NSO2H25C28 |
ABC2D25E28 |
13.29 |
1.91 |
-8.09 |
-0.22 |
0 |
|
|
89665 |
49963418 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-2.93 |
1.94 |
-8.95 |
-0.06 |
0 |
|
|
89666 |
49963440 |
1 |
O2H20C21 |
A2B20C21 |
-21.38 |
3.16 |
-8.95 |
-0.08 |
0 |
|
|
89667 |
49963443 |
1 |
NOSH13C18 |
ABCD13E18 |
44.82 |
3.0 |
-9.05 |
-0.86 |
0 |
|
|
89668 |
49963444 |
1 |
ON2H16C20 |
AB2C16D20 |
70.26 |
2.07 |
-8.8 |
-0.47 |
0 |
|
|
89669 |
49963501 |
1 |
SO2H18C22 |
AB2C18D22 |
4.26 |
1.44 |
-8.74 |
-0.59 |
0 |
|
|
89670 |
49963511 |
1 |
SO2H18C19 |
AB2C18D19 |
-18.64 |
2.2 |
-8.86 |
-0.21 |
0 |
|
|
89671 |
49963512 |
1 |
SO2H18C19 |
AB2C18D19 |
-16.76 |
3.68 |
-8.83 |
-0.24 |
0 |
|
|
89672 |
49963513 |
2 |
OC11H11 |
AB11C11 |
-27.01 |
2.88 |
-8.75 |
-0.12 |
0 |
|
|
89673 |
49963515 |
2 |
OH11C14 |
AB11C14 |
30.36 |
1.03 |
-8.31 |
-1.0 |
0 |
|
|
89674 |
49963525 |
1 |
SiN2O2C20H24 |
AB2C2D20E24 |
-53.13 |
4.56 |
-8.76 |
-0.03 |
0 |
|
|
89675 |
49963541 |
1 |
OSN2H18C22 |
ABC2D18E22 |
50.07 |
2.45 |
-8.1 |
-0.17 |
0 |
|
|
89676 |
49963563 |
1 |
O3H20C21 |
A3B20C21 |
-54.49 |
4.08 |
-8.77 |
-0.05 |
0 |
|
|
89677 |
49963569 |
1 |
NO3H15C16 |
AB3C15D16 |
-52.28 |
3.38 |
-9.08 |
-0.53 |
0 |
|
|
89678 |
49963580 |
2 |
OC8H9 |
AB8C9 |
-53.94 |
4.29 |
-8.95 |
0.04 |
0 |
|
|
89679 |
49963622 |
1 |
NSO2H15C16 |
ABC2D15E16 |
-19.4 |
3.41 |
-9.01 |
-0.7 |
0 |
|
|
89680 |
49963646 |
1 |
NO2C17H17 |
AB2C17D17 |
-20.64 |
1.57 |
-8.53 |
-0.56 |
0 |
|
|
89681 |
49963658 |
1 |
NO2C18H21 |
AB2C18D21 |
-42.19 |
1.91 |
-8.58 |
-0.04 |
0 |
|
|
89682 |
49963659 |
1 |
SO2C18H18 |
AB2C18D18 |
-31.03 |
3.61 |
-8.64 |
-0.62 |
0 |
|
|
89683 |
49963661 |
1 |
FNO2H14C17 |
ABC2D14E17 |
-55.73 |
6.39 |
-8.93 |
-0.81 |
0 |
|
|
89684 |
49963687 |
1 |
OCl2C17H18 |
AB2C17D18 |
-40.89 |
3.48 |
-9.45 |
-0.42 |
0 |
|
|
89685 |
49963708 |
1 |
NOH21C22 |
ABC21D22 |
15.93 |
3.31 |
-8.25 |
-0.32 |
0 |
|
|
89686 |
49963709 |
1 |
OSC14H16 |
ABC14D16 |
-19.23 |
2.31 |
-9.1 |
-0.2 |
0 |
|
|
89687 |
49963717 |
1 |
NOSH13C15 |
ABCD13E15 |
18.63 |
3.03 |
-9.17 |
-0.82 |
0 |
|
|
89688 |
49963718 |
1 |
OSH14C16 |
ABC14D16 |
7.92 |
2.61 |
-8.77 |
-0.6 |
0 |
|
|
89689 |
49963719 |
1 |
OF3H13C15 |
AB3C13D15 |
-168.26 |
3.1 |
-9.5 |
-0.58 |
0 |
|
|
89690 |
49963736 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-29.4 |
4.05 |
-9.03 |
0.02 |
0 |
|
|
89691 |
49963737 |
2 |
NOC7H9 |
ABC7D9 |
-35.57 |
4.25 |
-8.94 |
0.12 |
0 |
|
|
89692 |
49963738 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-43.33 |
3.12 |
-9.0 |
0.05 |
0 |
|
|
89693 |
49963801 |
1 |
NOSH13C15 |
ABCD13E15 |
19.43 |
2.63 |
-9.18 |
-0.82 |
0 |
|
|
89694 |
49963802 |
1 |
OCl2H14C15 |
AB2C14D15 |
-32.93 |
1.49 |
-9.12 |
-0.52 |
0 |
|
|
89695 |
49963816 |
1 |
OCl2N2C12H12 |
AB2C2D12E12 |
-7.25 |
1.84 |
-9.73 |
-0.66 |
0 |
|
|
89696 |
49963848 |
1 |
O3C16H16 |
A3B16C16 |
-79.64 |
1.79 |
-8.85 |
-0.27 |
0 |
|
|
89697 |
49963864 |
1 |
ON2H18C20 |
AB2C18D20 |
54.98 |
2.44 |
-8.41 |
-1.11 |
0 |
|
|
89698 |
49963879 |
1 |
O2H22C23 |
A2B22C23 |
-12.04 |
2.29 |
-8.31 |
-0.99 |
0 |
|
|
89699 |
49963880 |
1 |
FNOSH18C21 |
ABCDE18F21 |
-18.0 |
3.45 |
-8.44 |
-0.37 |
0 |
|
|
89700 |
49963894 |
1 |
FOSH11C12 |
ABCD11E12 |
-51.03 |
2.79 |
-9.08 |
-0.42 |
0 |
|
|
89701 |
49963899 |
1 |
FNOH14C16 |
ABCD14E16 |
-29.07 |
2.45 |
-8.47 |
-0.36 |
0 |
|
|
89702 |
49963912 |
1 |
OF4H10C14 |
AB4C10D14 |
-204.44 |
1.87 |
-9.86 |
-0.7 |
0 |
|
|
89703 |
49963913 |
1 |
FNO2H10C14 |
ABC2D10E14 |
-52.4 |
2.17 |
-9.65 |
-0.79 |
0 |
|
|
89704 |
49963921 |
1 |
FOSiN2C13H17 |
ABCD2E13F17 |
-86.81 |
5.67 |
-9.22 |
-0.13 |
0 |
|
|
89705 |
49963925 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-28.83 |
1.96 |
-8.98 |
0.02 |
0 |
|
|
89706 |
49963928 |
1 |
FNOSH16C20 |
ABCDE16F20 |
-14.78 |
1.37 |
-8.28 |
-0.39 |
0 |
|
|
89707 |
49963934 |
4 |
OC4H4 |
AB4C4 |
-111.3 |
3.59 |
-8.53 |
0.0 |
0 |
|
|
89708 |
49963942 |
1 |
FNOH14C20 |
ABCD14E20 |
8.36 |
2.9 |
-8.47 |
-1.15 |
0 |
|
|
89709 |
49963949 |
1 |
OSN2C11H14 |
ABC2D11E14 |
9.18 |
1.17 |
-9.17 |
-0.29 |
0 |
|
|
89710 |
49963957 |
1 |
OSN2H12C14 |
ABC2D12E14 |
59.66 |
1.9 |
-8.97 |
-0.44 |
0 |
|
|
89711 |
49963974 |
1 |
NSO2H9C12 |
ABC2D9E12 |
2.19 |
2.39 |
-9.33 |
-0.74 |
0 |
|
|
89712 |
49963976 |
1 |
OSC13H14 |
ABC13D14 |
-9.73 |
1.96 |
-8.91 |
-0.43 |
0 |
|
|
89713 |
49963984 |
1 |
OBr2S2H6C9 |
AB2C2D6E9 |
22.3 |
2.1 |
-9.35 |
-0.84 |
0 |
|
|
89714 |
49963998 |
1 |
Cl2O2H14C19 |
A2B2C14D19 |
-24.23 |
3.66 |
-9.06 |
-0.44 |
0 |
|
|
89715 |
49964015 |
1 |
FOCl2H9C13 |
ABC2D9E13 |
-63.72 |
3.11 |
-9.68 |
-0.76 |
0 |
|
|
89716 |
49964018 |
1 |
OCl2H12C17 |
AB2C12D17 |
5.76 |
2.53 |
-8.71 |
-0.56 |
0 |
|
|
89717 |
49964019 |
1 |
OSCl2H8C11 |
ABC2D8E11 |
-8.66 |
2.52 |
-9.2 |
-0.6 |
0 |
|
|
89718 |
49964031 |
1 |
NOSC12H13 |
ABCD12E13 |
1.43 |
2.88 |
-9.3 |
-0.41 |
0 |
|
|
89719 |
49964033 |
1 |
ON2H14C15 |
AB2C14D15 |
28.23 |
2.02 |
-8.56 |
-0.29 |
0 |
|
|
89720 |
49964036 |
1 |
NO3H15C17 |
AB3C15D17 |
-45.78 |
2.02 |
-8.5 |
-0.15 |
0 |
|
|
89721 |
49964039 |
1 |
ON3H13C14 |
AB3C13D14 |
38.54 |
4.06 |
-9.15 |
-0.5 |
0 |
|
|
89722 |
49964062 |
1 |
OSN2H16C19 |
ABC2D16E19 |
43.58 |
2.0 |
-8.27 |
-0.4 |
0 |
|
|
89723 |
49964103 |
2 |
NOC7H9 |
ABC7D9 |
-35.66 |
2.99 |
-9.13 |
-0.09 |
0 |
|
|
89724 |
49964104 |
1 |
FNOCl2H8C12 |
ABCD2E8F12 |
-50.64 |
3.57 |
-9.92 |
-0.84 |
0 |
|
|
89725 |
49964113 |
1 |
NO2C13H15 |
AB2C13D15 |
-38.73 |
1.47 |
-8.55 |
0.07 |
0 |
|
|
89726 |
49964115 |
2 |
ClOH6C7 |
ABC6D7 |
-55.79 |
3.43 |
-8.99 |
-0.44 |
0 |
|
|
89727 |
49964118 |
2 |
NOC6H8 |
ABC6D8 |
-35.85 |
2.15 |
-9.28 |
0.29 |
0 |
|
|
89728 |
49964122 |
1 |
SO2C13H14 |
AB2C13D14 |
-42.88 |
3.97 |
-8.73 |
-0.09 |
0 |
|
|
89729 |
49964129 |
1 |
NO2C11H13 |
AB2C11D13 |
-39.13 |
0.79 |
-8.78 |
0.52 |
0 |
|
|
89730 |
49964135 |
1 |
OCl2F3H9C14 |
AB2C3D9E14 |
-175.48 |
5.95 |
-10.01 |
-0.9 |
0 |
|
|
89731 |
49964144 |
2 |
OC8H9 |
AB8C9 |
-56.26 |
3.58 |
-8.71 |
0.03 |
0 |
|
|
89732 |
49964148 |
2 |
ClO2C8H8 |
AB2C8D8 |
-136.39 |
3.11 |
-8.8 |
-0.21 |
0 |
|
|
89733 |
49964158 |
1 |
BN2O2C8H9 |
AB2C2D8E9 |
-100.9 |
4.36 |
-9.01 |
-0.31 |
0 |
|
|
89734 |
49964159 |
1 |
NOC17H25 |
ABC17D25 |
-31.55 |
1.35 |
-9.28 |
0.31 |
0 |
|
|
89735 |
49964166 |
1 |
SO2C12H12 |
AB2C12D12 |
-32.82 |
2.93 |
-9.01 |
-0.16 |
0 |
|
|
89736 |
49964180 |
1 |
NC18H27 |
AB18C27 |
-0.06 |
1.63 |
-8.88 |
0.43 |
0 |
|
|
89737 |
49964181 |
1 |
NC19H29 |
AB19C29 |
-12.16 |
0.36 |
-9.12 |
0.37 |
0 |
|
|
89738 |
49964182 |
1 |
BNO2C14H14 |
ABC2D14E14 |
-107.62 |
1.75 |
-8.36 |
-0.38 |
0 |
|
|
89739 |
49964211 |
1 |
NOC18H29 |
ABC18D29 |
-71.06 |
2.84 |
-8.04 |
0.67 |
0 |
|
|
89740 |
49964213 |
1 |
NOC26H53 |
ABC26D53 |
-149.26 |
3.22 |
-8.84 |
2.86 |
0 |
|
|
89741 |
49964215 |
1 |
NOC20H27 |
ABC20D27 |
-37.24 |
2.01 |
-7.97 |
-0.19 |
0 |
|
|
89742 |
49964227 |
1 |
NOC14H29 |
ABC14D29 |
-100.64 |
2.87 |
-8.75 |
2.82 |
0 |
|
|
89743 |
49964228 |
1 |
NOC15H29 |
ABC15D29 |
-91.11 |
2.82 |
-8.54 |
2.83 |
0 |
|
|
89744 |
49964231 |
1 |
NO3C18H25 |
AB3C18D25 |
-157.23 |
5.91 |
-8.94 |
0.04 |
0 |
|
|
89745 |
49964242 |
1 |
N3S3O4C22H31 |
A3B3C4D22E31 |
-117.74 |
12.64 |
-7.95 |
-1.34 |
0 |
|
|
89746 |
49964248 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-19.41 |
3.8 |
-8.88 |
-0.43 |
0 |
|
|
89747 |
49964254 |
1 |
Na2S2H6O7C13 |
A2B2C6D7E13 |
-297.32 |
2.68 |
-9.47 |
-1.24 |
0 |