List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
359538 |
127298812 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-128.59 |
3.06 |
-8.35 |
0.72 |
0 |
|
|
359539 |
127298813 |
1 |
O2N5C21H39 |
A2B5C21D39 |
-102.12 |
3.69 |
-8.36 |
0.68 |
0 |
|
|
359540 |
127298814 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-125.87 |
3.71 |
-8.66 |
0.88 |
0 |
|
|
359541 |
127298815 |
2 |
ON2C8H14 |
AB2C8D14 |
-97.77 |
4.58 |
-8.43 |
0.66 |
0 |
|
|
359542 |
127298816 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-81.16 |
4.25 |
-9.2 |
0.36 |
0 |
|
|
359543 |
127298817 |
1 |
SN4O4C15H26 |
AB4C4D15E26 |
-135.65 |
5.31 |
-8.94 |
-0.55 |
0 |
|
|
359544 |
127298818 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-232.15 |
5.88 |
-9.86 |
-0.18 |
0 |
|
|
359545 |
127298819 |
1 |
SN2O4C15H18 |
AB2C4D15E18 |
-125.81 |
3.89 |
-9.56 |
-0.66 |
0 |
|
|
359546 |
127298820 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-99.35 |
3.86 |
-9.08 |
-0.31 |
0 |
|
|
359547 |
127298821 |
1 |
NSO3C12H21 |
ABC3D12E21 |
-158.77 |
6.33 |
-9.62 |
0.75 |
0 |
|
|
359548 |
127298822 |
1 |
N5C17H29 |
A5B17C29 |
11.2 |
4.09 |
-8.71 |
0.26 |
0 |
|
|
359549 |
127298823 |
1 |
ClO2N4C20H25 |
AB2C4D20E25 |
-23.53 |
4.6 |
-8.56 |
-0.29 |
0 |
|
|
359550 |
127298824 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-26.72 |
4.09 |
-7.8 |
-0.4 |
0 |
|
|
359551 |
127298825 |
1 |
N4O4C17H20 |
A4B4C17D20 |
-89.44 |
6.28 |
-9.12 |
-0.83 |
0 |
|
|
359552 |
127298826 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-58.47 |
5.41 |
-8.59 |
-0.79 |
0 |
|
|
359553 |
127298827 |
1 |
O4N5C19H23 |
A4B5C19D23 |
-98.61 |
7.86 |
-9.17 |
-0.84 |
0 |
|
|
359554 |
127298828 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-60.12 |
5.86 |
-8.6 |
-0.78 |
0 |
|
|
359555 |
127298829 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-64.54 |
3.74 |
-9.0 |
-0.69 |
0 |
|
|
359556 |
127298830 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-99.83 |
4.24 |
-9.13 |
0.08 |
0 |
|
|
359557 |
127298831 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-51.09 |
5.71 |
-8.64 |
-0.77 |
0 |
|
|
359558 |
127298832 |
1 |
SO3N5C19H19 |
AB3C5D19E19 |
-19.88 |
8.12 |
-8.37 |
-1.03 |
0 |
|
|
359559 |
127298833 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-53.4 |
5.01 |
-8.64 |
-0.86 |
0 |
|
|
359560 |
127298834 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-30.26 |
6.26 |
-8.8 |
-0.8 |
0 |
|
|
359561 |
127298835 |
1 |
O4N5C18H21 |
A4B5C18D21 |
-82.26 |
3.35 |
-8.93 |
-0.8 |
0 |
|
|
359562 |
127298836 |
1 |
O3N5C21H29 |
A3B5C21D29 |
-65.74 |
6.03 |
-8.64 |
-0.78 |
0 |
|
|
359563 |
127298837 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-44.37 |
5.64 |
-8.45 |
-0.72 |
0 |
|
|
359564 |
127298838 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-78.68 |
6.34 |
-8.7 |
0.08 |
0 |
|
|
359565 |
127298839 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-87.2 |
6.81 |
-9.28 |
-0.12 |
0 |
|
|
359566 |
127298840 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-49.16 |
3.78 |
-8.62 |
-0.69 |
0 |
|
|
359567 |
127298841 |
1 |
O4N5C18H21 |
A4B5C18D21 |
-78.0 |
5.48 |
-9.11 |
-0.81 |
0 |
|
|
359568 |
127298842 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-25.12 |
6.52 |
-8.87 |
-0.82 |
0 |
|
|
359569 |
127298843 |
1 |
O4N5C19H23 |
A4B5C19D23 |
-90.54 |
4.46 |
-9.07 |
-0.72 |
0 |
|
|
359570 |
127298844 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-48.99 |
5.26 |
-8.46 |
-0.79 |
0 |
|
|
359571 |
127298845 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-57.27 |
3.36 |
-8.62 |
-0.69 |
0 |
|
|
359572 |
127298846 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-53.2 |
3.58 |
-8.6 |
-0.72 |
0 |
|
|
359573 |
127298847 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-8.71 |
4.6 |
-8.75 |
-0.74 |
0 |
|
|
359574 |
127298848 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-74.24 |
5.23 |
-8.72 |
0.05 |
0 |
|
|
359575 |
127298849 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-98.73 |
7.06 |
-9.13 |
-0.82 |
0 |
|
|
359576 |
127298850 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-34.87 |
6.17 |
-8.74 |
-0.79 |
0 |
|
|
359577 |
127298851 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-18.28 |
5.23 |
-8.68 |
-0.76 |
0 |
|
|
359578 |
127298852 |
1 |
O3N5C21H29 |
A3B5C21D29 |
-67.61 |
5.66 |
-8.52 |
-0.77 |
0 |
|
|
359579 |
127298853 |
1 |
ON5C22H25 |
AB5C22D25 |
46.09 |
5.69 |
-8.93 |
-1.33 |
0 |
|
|
359580 |
127298854 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-93.28 |
5.42 |
-9.02 |
-0.76 |
0 |
|
|
359581 |
127298855 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-54.51 |
5.71 |
-8.51 |
-0.81 |
0 |
|
|
359582 |
127298856 |
1 |
ON6C20H24 |
AB6C20D24 |
48.53 |
6.69 |
-8.42 |
-1.4 |
0 |
|
|
359583 |
127298857 |
1 |
F2O2N3C16H21 |
A2B2C3D16E21 |
-172.47 |
2.37 |
-8.64 |
-1.19 |
0 |
|
|
359584 |
127298858 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-93.67 |
4.98 |
-8.94 |
-0.75 |
0 |
|
|
359585 |
127298859 |
1 |
O3N5C21H29 |
A3B5C21D29 |
-59.85 |
5.58 |
-8.52 |
-0.87 |
0 |
|
|
359586 |
127298860 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-17.68 |
5.31 |
-9.08 |
-0.75 |
0 |
|
|
359587 |
127298861 |
1 |
O3N6C19H20 |
A3B6C19D20 |
10.73 |
8.19 |
-8.65 |
-1.03 |
0 |
|
|
359588 |
127298862 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-94.43 |
2.95 |
-8.94 |
-0.8 |
0 |
|
|
359589 |
127298863 |
1 |
ClON5C18H22 |
ABC5D18E22 |
28.56 |
5.25 |
-8.75 |
-1.08 |
0 |
|
|
359590 |
127298864 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-13.79 |
5.24 |
-8.65 |
-0.76 |
0 |
|
|
359591 |
127298865 |
1 |
ON5C23H25 |
AB5C23D25 |
47.48 |
4.98 |
-8.8 |
-1.32 |
0 |
|
|
359592 |
127298866 |
1 |
O4N5C17H19 |
A4B5C17D19 |
-84.01 |
4.18 |
-8.97 |
-0.84 |
0 |
|
|
359593 |
127298867 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-102.44 |
5.11 |
-9.1 |
-0.75 |
0 |
|
|
359594 |
127298868 |
1 |
O3N6C20H22 |
A3B6C20D22 |
-11.67 |
5.55 |
-9.1 |
-0.69 |
0 |
|
|
359595 |
127298869 |
1 |
SO3N4C17H20 |
AB3C4D17E20 |
-49.45 |
6.52 |
-8.59 |
-0.91 |
0 |
|
|
359596 |
127298870 |
2 |
FON2C9H10 |
ABC2D9E10 |
-73.02 |
3.39 |
-9.51 |
-0.55 |
0 |
|
|
359597 |
127298871 |
1 |
O4N5C17H19 |
A4B5C17D19 |
-80.23 |
8.37 |
-9.12 |
-1.02 |
0 |
|
|
359598 |
127298872 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-103.73 |
4.8 |
-9.11 |
-0.76 |
0 |
|
|
359599 |
127298873 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-86.76 |
3.98 |
-9.01 |
-0.68 |
0 |
|
|
359600 |
127298874 |
1 |
O3N6C20H22 |
A3B6C20D22 |
-11.76 |
4.63 |
-8.8 |
-0.75 |
0 |
|
|
359601 |
127298875 |
1 |
SO4N5C15H17 |
AB4C5D15E17 |
-63.66 |
8.39 |
-9.45 |
-1.64 |
0 |
|
|
359602 |
127298876 |
1 |
SO4N5C14H15 |
AB4C5D14E15 |
-60.49 |
8.33 |
-9.75 |
-1.52 |
0 |
|
|
359603 |
127298877 |
1 |
SO4N5C13H13 |
AB4C5D13E13 |
-47.38 |
8.63 |
-9.6 |
-1.65 |
0 |
|
|
359604 |
127298878 |
1 |
SO3N6C17H22 |
AB3C6D17E22 |
-29.2 |
7.43 |
-8.8 |
-1.61 |
0 |
|
|
359605 |
127298879 |
1 |
SO4N5C15H17 |
AB4C5D15E17 |
-66.37 |
5.03 |
-9.79 |
-1.58 |
0 |
|
|
359606 |
127298880 |
1 |
SO3N6C17H22 |
AB3C6D17E22 |
-25.49 |
5.83 |
-8.81 |
-1.56 |
0 |
|
|
359607 |
127298881 |
1 |
SO3N6C16H18 |
AB3C6D16E18 |
7.59 |
7.41 |
-9.07 |
-1.65 |
0 |
|
|
359608 |
127298882 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-26.83 |
5.4 |
-8.98 |
-0.89 |
0 |
|
|
359609 |
127298883 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-101.41 |
9.61 |
-9.18 |
-0.89 |
0 |
|
|
359610 |
127298884 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-17.22 |
5.61 |
-9.04 |
-0.76 |
0 |
|
|
359611 |
127298885 |
1 |
ClFNO2C14H15 |
ABCD2E14F15 |
-123.19 |
3.62 |
-9.14 |
-0.44 |
0 |
|
|
359612 |
127298886 |
1 |
ClFNO2C15H17 |
ABCD2E15F17 |
-130.7 |
4.77 |
-9.07 |
-0.38 |
0 |