List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
322884 |
126671529 |
1 |
NO3C18H25 |
AB3C18D25 |
-72.34 |
1.51 |
-8.97 |
-0.22 |
0 |
|
|
322885 |
126671531 |
1 |
NO3C18H25 |
AB3C18D25 |
-70.96 |
2.17 |
-8.92 |
-0.24 |
0 |
|
|
322886 |
126671534 |
1 |
NO3C12H25 |
AB3C12D25 |
-147.25 |
1.41 |
-8.99 |
0.49 |
0 |
|
|
322887 |
126671535 |
1 |
NO3C9H19 |
AB3C9D19 |
-133.92 |
3.49 |
-9.27 |
0.55 |
0 |
|
|
322888 |
126671536 |
1 |
NO3C14H29 |
AB3C14D29 |
-155.52 |
2.08 |
-8.99 |
0.51 |
0 |
|
|
322889 |
126671537 |
1 |
ClFSO6N10C53H60 |
ABCD6E10F53G60 |
-185.12 |
13.22 |
-8.94 |
-0.71 |
0 |
|
|
322890 |
126671540 |
1 |
NOC19H23 |
ABC19D23 |
-11.99 |
2.16 |
-8.15 |
0.26 |
0 |
|
|
322891 |
126671541 |
1 |
FC13H17 |
AB13C17 |
-54.21 |
1.44 |
-9.47 |
0.09 |
0 |
|
|
322892 |
126671543 |
1 |
ClC13H15 |
AB13C15 |
43.08 |
2.0 |
-9.28 |
0.04 |
0 |
|
|
322893 |
126671544 |
1 |
ClFO2H12C15 |
ABC2D12E15 |
-95.07 |
4.43 |
-9.74 |
-1.22 |
0 |
|
|
322894 |
126671545 |
1 |
FC13H15 |
AB13C15 |
-21.78 |
1.24 |
-9.47 |
0.11 |
0 |
|
|
322895 |
126671546 |
1 |
ClC13H15 |
AB13C15 |
15.19 |
1.44 |
-9.35 |
0.02 |
0 |
|
|
322896 |
126671547 |
1 |
ClFNOC19H21 |
ABCDE19F21 |
-71.69 |
3.75 |
-9.37 |
-0.63 |
0 |
|
|
322897 |
126671548 |
1 |
ClFNOC18H19 |
ABCDE18F19 |
-67.27 |
4.06 |
-9.48 |
-0.84 |
0 |
|
|
322898 |
126671549 |
1 |
FC13H15 |
AB13C15 |
7.1 |
1.81 |
-9.41 |
0.15 |
0 |
|
|
322899 |
126671552 |
1 |
N3C10H13 |
A3B10C13 |
47.48 |
3.5 |
-9.29 |
-0.64 |
0 |
|
|
322900 |
126671553 |
1 |
ON3H9C10 |
AB3C9D10 |
41.39 |
4.97 |
-9.76 |
-0.8 |
0 |
|
|
322901 |
126671555 |
1 |
SN2O3C8H10 |
AB2C3D8E10 |
-75.02 |
6.99 |
-9.88 |
-0.75 |
0 |
|
|
322902 |
126671556 |
1 |
ON3C9H11 |
AB3C9D11 |
16.52 |
5.71 |
-9.7 |
-0.92 |
0 |
|
|
322903 |
126671557 |
2 |
NOC5H7 |
ABC5D7 |
-66.59 |
3.3 |
-9.6 |
-0.16 |
0 |
|
|
322904 |
126671558 |
3 |
NC4H7 |
AB4C7 |
1.87 |
1.05 |
-8.66 |
-0.03 |
0 |
|
|
322905 |
126671559 |
1 |
SO3N10H24C25 |
AB3C10D24E25 |
59.17 |
8.26 |
-9.05 |
-1.56 |
0 |
|
|
322906 |
126671560 |
1 |
NF3C9H12 |
AB3C9D12 |
-156.16 |
3.17 |
-8.46 |
0.13 |
0 |
|
|
322907 |
126671561 |
1 |
ClSF2H7C12 |
ABC2D7E12 |
-55.68 |
1.02 |
-8.82 |
-0.92 |
0 |
|
|
322908 |
126671562 |
1 |
BrNC8H12 |
ABC8D12 |
-7.62 |
4.3 |
-8.25 |
-0.26 |
0 |
|
|
322909 |
126671563 |
1 |
NOC8H17 |
ABC8D17 |
-67.56 |
2.16 |
-9.19 |
2.23 |
0 |
|
|
322910 |
126671564 |
1 |
N2C7H16 |
A2B7C16 |
-25.66 |
0.13 |
-9.33 |
3.48 |
0 |
|
|
322911 |
126671565 |
2 |
NOC9H13 |
ABC9D13 |
-84.06 |
0.96 |
-8.77 |
0.17 |
0 |
|
|
322912 |
126671566 |
1 |
ON3C24H33 |
AB3C24D33 |
-2.65 |
1.9 |
-8.22 |
-0.01 |
0 |
|
|
322913 |
126671567 |
1 |
O2C7H14 |
A2B7C14 |
-112.52 |
3.6 |
-9.99 |
0.31 |
0 |
|
|
322914 |
126671569 |
1 |
O2C7H14 |
A2B7C14 |
-112.03 |
3.5 |
-10.01 |
0.28 |
0 |
|
|
322915 |
126671571 |
2 |
OC4H8 |
AB4C8 |
-117.41 |
3.06 |
-9.98 |
0.62 |
0 |
|
|
322916 |
126671572 |
1 |
ClON2H9C10 |
ABC2D9E10 |
32.22 |
3.27 |
-9.82 |
-1.16 |
0 |
|
|
322917 |
126671574 |
1 |
ON3C10H15 |
AB3C10D15 |
-8.41 |
3.82 |
-8.4 |
0.79 |
0 |
|
|
322918 |
126671575 |
1 |
NO2C11H13 |
AB2C11D13 |
-72.06 |
2.6 |
-8.76 |
-0.29 |
0 |
|
|
322919 |
126671576 |
2 |
NC7H7 |
AB7C7 |
52.98 |
1.45 |
-8.48 |
0.18 |
0 |
|
|
322920 |
126671579 |
1 |
ClNOC12H14 |
ABCD12E14 |
-39.37 |
3.59 |
-9.13 |
-0.13 |
0 |
|
|
322921 |
126671583 |
1 |
ClN3O3C35H44 |
AB3C3D35E44 |
-104.71 |
4.78 |
-8.33 |
-0.25 |
0 |
|
|
322922 |
126671584 |
1 |
OC16H24 |
AB16C24 |
-52.67 |
1.54 |
-9.37 |
0.35 |
0 |
|
|
322923 |
126671585 |
1 |
ON2C10H16 |
AB2C10D16 |
-34.57 |
6.61 |
-8.9 |
0.02 |
0 |
|
|
322924 |
126671586 |
1 |
FN3C14H18 |
AB3C14D18 |
-2.06 |
5.24 |
-8.19 |
-0.31 |
0 |
|
|
322925 |
126671588 |
1 |
ON3C20H27 |
AB3C20D27 |
4.51 |
2.47 |
-8.62 |
0.01 |
0 |
|
|
322926 |
126671591 |
2 |
NOC12H16 |
ABC12D16 |
-59.48 |
1.35 |
-8.57 |
0.03 |
0 |
|
|
322927 |
126671595 |
1 |
O2C19H30 |
A2B19C30 |
-116.97 |
1.12 |
-8.52 |
0.51 |
0 |
|
|
322928 |
126671598 |
1 |
ON5C22H29 |
AB5C22D29 |
-3.91 |
5.41 |
-8.54 |
-0.55 |
0 |
|
|
322929 |
126671599 |
1 |
N2S2O4C13H22 |
A2B2C4D13E22 |
-147.4 |
3.44 |
-8.95 |
0.0 |
0 |
|
|
322930 |
126671600 |
1 |
N2S2O4C9H16 |
A2B2C4D9E16 |
-123.35 |
7.22 |
-9.12 |
-0.08 |
0 |
|
|
322931 |
126671603 |
1 |
O2N5C23H29 |
A2B5C23D29 |
-54.26 |
6.52 |
-8.89 |
-0.67 |
0 |
|
|
322932 |
126671605 |
1 |
N2O4C7H8 |
A2B4C7D8 |
-105.87 |
4.28 |
-9.82 |
-1.76 |
0 |
|
|
322933 |
126671606 |
1 |
SN4O4C28H40 |
AB4C4D28E40 |
-182.79 |
1.97 |
-9.22 |
-0.74 |
0 |
|
|
322934 |
126671607 |
1 |
FSN4O4C28H39 |
ABC4D4E28F39 |
-225.01 |
3.37 |
-9.34 |
-0.6 |
0 |
|
|
322935 |
126671609 |
1 |
SN4O4C27H40 |
AB4C4D27E40 |
-184.93 |
4.56 |
-9.12 |
-0.68 |
0 |
|
|
322936 |
126671613 |
1 |
NO3C18H23 |
AB3C18D23 |
-56.4 |
2.51 |
-9.19 |
0.25 |
0 |
|
|
322937 |
126671615 |
1 |
O7C54H54 |
A7B54C54 |
-112.68 |
4.28 |
-8.88 |
0.0 |
0 |
|
|
322938 |
126671619 |
1 |
FSN4O4C26H35 |
ABC4D4E26F35 |
-220.44 |
5.22 |
-9.12 |
-0.59 |
0 |
|
|
322939 |
126671620 |
1 |
NO3C13H29 |
AB3C13D29 |
-167.61 |
1.95 |
-8.98 |
1.62 |
0 |
|
|
322940 |
126671621 |
1 |
ON2C17H30 |
AB2C17D30 |
-59.97 |
2.65 |
-8.77 |
0.11 |
0 |
|
|
322941 |
126671624 |
1 |
SN2O3C16H28 |
AB2C3D16E28 |
-138.9 |
7.83 |
-9.13 |
-0.68 |
0 |
|
|
322942 |
126671625 |
1 |
ON2C17H36 |
AB2C17D36 |
-102.96 |
3.83 |
-8.53 |
2.11 |
0 |
|
|
322943 |
126671626 |
1 |
ON2C9H20 |
AB2C9D20 |
-36.68 |
2.66 |
-8.99 |
1.13 |
0 |
|
|
322944 |
126671627 |
1 |
O2N4C31H56 |
A2B4C31D56 |
-133.65 |
1.87 |
-8.62 |
0.11 |
0 |
|
|
322945 |
126671631 |
1 |
SO7C19H30 |
AB7C19D30 |
-305.73 |
7.23 |
-9.64 |
-0.62 |
0 |
|
|
322946 |
126671632 |
1 |
NO6C21H29 |
AB6C21D29 |
-232.24 |
4.09 |
-9.28 |
-0.4 |
0 |
|
|
322947 |
126671633 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-96.55 |
2.62 |
-8.25 |
0.3 |
0 |
|
|
322948 |
126671634 |
1 |
ClS2O7N9C49H62 |
AB2C7D9E49F62 |
-212.28 |
13.5 |
-8.88 |
-1.05 |
0 |
|
|
322949 |
126671635 |
1 |
N3O6C29H39 |
A3B6C29D39 |
-246.36 |
6.51 |
-8.35 |
-0.25 |
0 |
|
|
322950 |
126671636 |
1 |
SN2O5C21H30 |
AB2C5D21E30 |
-201.97 |
2.12 |
-9.13 |
-0.87 |
0 |
|
|
322951 |
126671637 |
1 |
N2O7C28H40 |
A2B7C28D40 |
-203.64 |
8.23 |
-8.51 |
0.01 |
0 |
|
|
322952 |
126671638 |
1 |
SN2O3C16H20 |
AB2C3D16E20 |
-112.64 |
2.41 |
-9.15 |
-0.85 |
0 |
|
|
322953 |
126671639 |
1 |
O4N5C29H39 |
A4B5C29D39 |
-99.07 |
4.39 |
-9.19 |
-0.4 |
0 |
|
|
322954 |
126671640 |
1 |
O4N5C29H39 |
A4B5C29D39 |
-120.89 |
4.18 |
-9.08 |
-0.7 |
0 |
|
|
322955 |
126671641 |
1 |
S2O6N7C46H51 |
A2B6C7D46E51 |
-109.32 |
7.76 |
-8.67 |
-1.37 |
0 |
|
|
322956 |
126671643 |
1 |
OSN5C24H25 |
ABC5D24E25 |
75.1 |
5.13 |
-9.54 |
-1.36 |
0 |
|
|
322957 |
126671644 |
1 |
PO8H17C22 |
AB8C17D22 |
-311.36 |
7.19 |
-9.14 |
-1.87 |
0 |
|
|
322958 |
126671646 |
1 |
ON7C17H21 |
AB7C17D21 |
109.71 |
6.64 |
-8.14 |
-1.52 |
0 |