List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
333731 |
127252283 |
1 |
F3O3N4C20H25 |
A3B3C4D20E25 |
-222.55 |
5.94 |
-9.02 |
-0.68 |
0 |
|
|
333732 |
127252284 |
1 |
FO2N3C24H28 |
AB2C3D24E28 |
-47.65 |
1.55 |
-8.58 |
-0.17 |
0 |
|
|
333733 |
127252285 |
1 |
O2N3C24H29 |
A2B3C24D29 |
2.06 |
6.35 |
-8.62 |
-0.05 |
0 |
|
|
333734 |
127252286 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-25.93 |
1.75 |
-8.84 |
-1.03 |
0 |
|
|
333735 |
127252287 |
2 |
ON2C13H19 |
AB2C13D19 |
-111.48 |
5.74 |
-9.25 |
-0.58 |
0 |
|
|
333736 |
127252288 |
1 |
F3O3N4H19C22 |
A3B3C4D19E22 |
-183.3 |
4.59 |
-9.37 |
-0.96 |
0 |
|
|
333737 |
127252289 |
1 |
ClO2N4C21H21 |
AB2C4D21E21 |
-7.62 |
3.5 |
-9.24 |
-0.11 |
0 |
|
|
333738 |
127252290 |
2 |
ON3C12H13 |
AB3C12D13 |
2.15 |
5.63 |
-9.41 |
-0.81 |
0 |
|
|
333739 |
127252291 |
1 |
FO2N6C23H23 |
AB2C6D23E23 |
-39.01 |
5.2 |
-9.72 |
-0.9 |
0 |
|
|
333740 |
127252292 |
1 |
O2N6C25H28 |
A2B6C25D28 |
-2.94 |
5.55 |
-9.39 |
-0.79 |
0 |
|
|
333741 |
127252293 |
1 |
O2N6C23H30 |
A2B6C23D30 |
-39.52 |
6.04 |
-9.55 |
-0.84 |
0 |
|
|
333742 |
127252294 |
1 |
O2F3N4H19C21 |
A2B3C4D19E21 |
-143.59 |
2.78 |
-9.57 |
-0.6 |
0 |
|
|
333743 |
127252295 |
2 |
ON2C10H10 |
AB2C10D10 |
16.49 |
2.27 |
-9.39 |
-0.34 |
0 |
|
|
333744 |
127252296 |
1 |
SO4N5C20H21 |
AB4C5D20E21 |
-61.02 |
3.39 |
-9.22 |
-1.23 |
0 |
|
|
333745 |
127252297 |
1 |
SO3N5C20H21 |
AB3C5D20E21 |
-29.94 |
1.48 |
-9.3 |
-1.4 |
0 |
|
|
333746 |
127252298 |
1 |
ClO3N5C19H20 |
AB3C5D19E20 |
-22.45 |
2.71 |
-9.07 |
-0.29 |
0 |
|
|
333747 |
127252299 |
1 |
ClO3N5C19H20 |
AB3C5D19E20 |
-23.82 |
1.2 |
-9.33 |
-0.46 |
0 |
|
|
333748 |
127252300 |
1 |
O3N5H19C20 |
A3B5C19D20 |
-23.47 |
5.36 |
-9.58 |
-0.77 |
0 |
|
|
333749 |
127252301 |
1 |
O3N5H19C20 |
A3B5C19D20 |
-23.45 |
3.12 |
-9.54 |
-0.82 |
0 |
|
|
333750 |
127252302 |
1 |
F3O3N5C21H22 |
A3B3C5D21E22 |
-176.51 |
2.35 |
-9.39 |
-0.69 |
0 |
|
|
333751 |
127252303 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-47.1 |
2.25 |
-9.24 |
-1.08 |
0 |
|
|
333752 |
127252304 |
1 |
ClN3O3H22C24 |
AB3C3D22E24 |
-60.95 |
3.67 |
-9.09 |
-0.79 |
0 |
|
|
333753 |
127252305 |
1 |
ON6C25H28 |
AB6C25D28 |
39.57 |
5.33 |
-8.65 |
-0.79 |
0 |
|
|
333754 |
127252306 |
1 |
OF3N4H19C21 |
AB3C4D19E21 |
-105.48 |
2.82 |
-8.8 |
-0.6 |
0 |
|
|
333755 |
127252307 |
1 |
SN4O4C22H26 |
AB4C4D22E26 |
-85.11 |
6.87 |
-9.29 |
-1.38 |
0 |
|
|
333756 |
127252308 |
1 |
O2F3N4H21C22 |
A2B3C4D21E22 |
-157.46 |
4.11 |
-9.37 |
-0.49 |
0 |
|
|
333757 |
127252309 |
1 |
O2F3N4H21C22 |
A2B3C4D21E22 |
-157.25 |
3.09 |
-9.28 |
-0.61 |
0 |
|
|
333758 |
127252310 |
1 |
O2F3N4C23H23 |
A2B3C4D23E23 |
-170.41 |
5.79 |
-9.44 |
-0.39 |
0 |
|
|
333759 |
127252311 |
1 |
FO3N5C21H22 |
AB3C5D21E22 |
-53.52 |
3.61 |
-9.4 |
-1.33 |
0 |
|
|
333760 |
127252312 |
1 |
FO2N4H21C22 |
AB2C4D21E22 |
-36.43 |
3.68 |
-9.39 |
-1.09 |
0 |
|
|
333761 |
127252313 |
1 |
FN3O3H24C25 |
AB3C3D24E25 |
-102.62 |
7.86 |
-9.23 |
-0.94 |
0 |
|
|
333762 |
127252314 |
1 |
FN3O3H24C25 |
AB3C3D24E25 |
-103.31 |
2.69 |
-9.38 |
-0.77 |
0 |
|
|
333763 |
127252315 |
1 |
SO3N4C23H30 |
AB3C4D23E30 |
-87.73 |
4.27 |
-8.67 |
-1.21 |
0 |
|
|
333764 |
127252316 |
1 |
SO2N4C25H26 |
AB2C4D25E26 |
8.74 |
4.62 |
-8.58 |
-1.11 |
0 |
|
|
333765 |
127252317 |
1 |
SO3N4C23H24 |
AB3C4D23E24 |
-38.51 |
4.18 |
-8.51 |
-1.24 |
0 |
|
|
333766 |
127252318 |
1 |
O2F3N6C21H23 |
A2B3C6D21E23 |
-148.32 |
4.16 |
-9.04 |
-0.46 |
0 |
|
|
333767 |
127252319 |
1 |
OF3N5C23H24 |
AB3C5D23E24 |
-90.46 |
5.36 |
-8.06 |
-0.54 |
0 |
|
|
333768 |
127252320 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-102.61 |
3.07 |
-9.57 |
-0.55 |
0 |
|
|
333769 |
127252321 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-111.85 |
6.63 |
-9.44 |
-0.51 |
0 |
|
|
333770 |
127252322 |
1 |
SN4C15H20 |
AB4C15D20 |
51.09 |
2.69 |
-9.29 |
-1.31 |
0 |
|
|
333771 |
127252323 |
1 |
ON5C12H17 |
AB5C12D17 |
16.7 |
3.52 |
-8.59 |
-0.55 |
0 |
|
|
333772 |
127252324 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-48.89 |
6.2 |
-9.49 |
-1.03 |
0 |
|
|
333773 |
127252325 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-58.76 |
7.07 |
-9.43 |
-0.95 |
0 |
|
|
333774 |
127252326 |
2 |
ON2C7H12 |
AB2C7D12 |
-39.67 |
5.61 |
-8.67 |
-0.42 |
0 |
|
|
333775 |
127252327 |
1 |
ON4C15H18 |
AB4C15D18 |
35.58 |
2.72 |
-8.4 |
-0.73 |
0 |
|
|
333776 |
127252328 |
1 |
ON5C14H19 |
AB5C14D19 |
33.66 |
4.31 |
-9.05 |
-0.59 |
0 |
|
|
333777 |
127252329 |
1 |
ON4C16H22 |
AB4C16D22 |
6.09 |
7.12 |
-9.01 |
-0.22 |
0 |
|
|
333778 |
127252330 |
1 |
ON4C15H20 |
AB4C15D20 |
21.39 |
2.19 |
-9.28 |
-0.18 |
0 |
|
|
333779 |
127252331 |
1 |
ON4C17H28 |
AB4C17D28 |
-28.28 |
3.86 |
-8.38 |
-0.19 |
0 |
|
|
333780 |
127252332 |
1 |
ON5C15H19 |
AB5C15D19 |
27.64 |
1.87 |
-8.96 |
-0.33 |
0 |
|
|
333781 |
127252333 |
1 |
ON5C15H21 |
AB5C15D21 |
14.72 |
5.04 |
-9.17 |
-0.4 |
0 |
|
|
333782 |
127252334 |
1 |
ON5C17H23 |
AB5C17D23 |
24.29 |
5.79 |
-8.42 |
-0.25 |
0 |
|
|
333783 |
127252335 |
1 |
ON3C14H23 |
AB3C14D23 |
-29.86 |
1.38 |
-8.56 |
0.58 |
0 |
|
|
333784 |
127252336 |
1 |
ON3C12H15 |
AB3C12D15 |
7.88 |
3.32 |
-8.73 |
-0.22 |
0 |
|
|
333785 |
127252337 |
1 |
ON3C11H17 |
AB3C11D17 |
-0.91 |
2.02 |
-8.9 |
-0.54 |
0 |
|
|
333786 |
127252338 |
1 |
ON3C11H17 |
AB3C11D17 |
-3.96 |
1.2 |
-8.77 |
-0.44 |
0 |
|
|
333787 |
127252339 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-43.37 |
4.75 |
-8.97 |
0.0 |
0 |
|
|
333788 |
127252340 |
1 |
ON3C14H15 |
AB3C14D15 |
29.12 |
3.65 |
-8.45 |
-0.23 |
0 |
|
|
333789 |
127252341 |
1 |
ON4C13H18 |
AB4C13D18 |
24.65 |
6.94 |
-8.9 |
-0.69 |
0 |
|
|
333790 |
127252342 |
1 |
ON4C13H14 |
AB4C13D14 |
39.78 |
2.53 |
-8.77 |
-0.33 |
0 |
|
|
333791 |
127252343 |
1 |
N4C13H14 |
A4B13C14 |
76.29 |
5.26 |
-8.71 |
-0.32 |
0 |
|
|
333792 |
127252344 |
2 |
ON2C6H7 |
AB2C6D7 |
-13.69 |
6.65 |
-9.45 |
-0.95 |
0 |
|
|
333793 |
127252345 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-48.4 |
4.11 |
-9.22 |
-0.16 |
0 |
|
|
333794 |
127252346 |
1 |
O3N5C18H25 |
A3B5C18D25 |
-84.42 |
2.04 |
-8.4 |
-0.08 |
0 |
|
|
333795 |
127252347 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-32.98 |
4.18 |
-8.17 |
-0.02 |
0 |
|
|
333796 |
127252348 |
1 |
O2N5C20H21 |
A2B5C20D21 |
17.28 |
4.77 |
-8.25 |
-0.21 |
0 |
|
|
333797 |
127252349 |
1 |
SO3N6C18H26 |
AB3C6D18E26 |
-57.68 |
2.97 |
-8.32 |
-0.2 |
0 |
|
|
333798 |
127252350 |
2 |
NOC6H8 |
ABC6D8 |
-64.11 |
2.59 |
-9.43 |
-0.02 |
0 |
|
|
333799 |
127252351 |
1 |
SN2O3C11H16 |
AB2C3D11E16 |
-99.67 |
6.38 |
-9.45 |
0.07 |
0 |
|
|
333800 |
127252352 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-98.16 |
3.62 |
-9.46 |
-0.11 |
0 |
|
|
333801 |
127252353 |
1 |
SO3N5C19H21 |
AB3C5D19E21 |
-19.91 |
4.71 |
-8.51 |
-0.39 |
0 |
|
|
333802 |
127252354 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-22.34 |
2.75 |
-8.28 |
-0.09 |
0 |
|
|
333803 |
127252355 |
1 |
O2N5C22H25 |
A2B5C22D25 |
2.74 |
4.02 |
-8.53 |
-0.12 |
0 |
|
|
333804 |
127252356 |
1 |
O2N7C22H23 |
A2B7C22D23 |
45.03 |
7.69 |
-8.55 |
-0.28 |
0 |
|
|
333805 |
127252357 |
1 |
O2N6C19H26 |
A2B6C19D26 |
-20.46 |
3.16 |
-8.41 |
-0.15 |
0 |
|
|
333806 |
127252358 |
1 |
O2N7C21H25 |
A2B7C21D25 |
19.44 |
4.72 |
-8.24 |
0.06 |
0 |
|
|
333807 |
127252359 |
1 |
O2N7C17H19 |
A2B7C17D19 |
37.01 |
2.93 |
-8.46 |
-0.21 |
0 |
|
|
333808 |
127252360 |
1 |
O2F3N7C18H18 |
A2B3C7D18E18 |
-120.8 |
4.81 |
-8.26 |
-0.74 |
0 |
|
|
333809 |
127252361 |
1 |
ON6C16H20 |
AB6C16D20 |
26.81 |
3.54 |
-9.2 |
-0.52 |
0 |
|
|
333810 |
127252362 |
1 |
ON6C16H20 |
AB6C16D20 |
22.1 |
3.73 |
-9.01 |
-0.38 |
0 |
|
|
333811 |
127252363 |
1 |
ON3C10H17 |
AB3C10D17 |
-14.48 |
3.82 |
-9.01 |
0.8 |
0 |
|
|
333812 |
127252364 |
1 |
ON2C13H20 |
AB2C13D20 |
-31.13 |
8.4 |
-8.94 |
0.18 |
0 |
|
|
333813 |
127252365 |
1 |
ON3C13H23 |
AB3C13D23 |
-29.97 |
3.99 |
-8.91 |
0.81 |
0 |
|
|
333814 |
127252366 |
1 |
ON4C12H22 |
AB4C12D22 |
-6.92 |
7.27 |
-8.81 |
0.42 |
0 |
|
|
333815 |
127252367 |
1 |
ON4C13H22 |
AB4C13D22 |
-27.24 |
5.09 |
-9.44 |
0.39 |
0 |
|
|
333816 |
127252368 |
1 |
SO2N3C11H19 |
AB2C3D11E19 |
-66.39 |
5.48 |
-9.47 |
0.34 |
0 |
|
|
333817 |
127252369 |
1 |
SN3O3C11H19 |
AB3C3D11E19 |
-87.62 |
4.42 |
-9.71 |
-0.21 |
0 |
|
|
333818 |
127252370 |
1 |
SN3O3C11H19 |
AB3C3D11E19 |
-105.68 |
6.06 |
-9.19 |
0.15 |
0 |
|
|
333819 |
127252371 |
1 |
SO3N4C10H18 |
AB3C4D10E18 |
-69.55 |
2.72 |
-9.71 |
-0.22 |
0 |
|
|
333820 |
127252372 |
2 |
ON2C6H9 |
AB2C6D9 |
-43.39 |
3.68 |
-9.36 |
-0.55 |
0 |
|
|
333821 |
127252373 |
1 |
O2N4C11H18 |
A2B4C11D18 |
-34.57 |
4.76 |
-9.13 |
-0.53 |
0 |
|
|
333822 |
127252374 |
1 |
FSO2N3C15H18 |
ABC2D3E15F18 |
-71.81 |
5.96 |
-9.66 |
-0.93 |
0 |
|
|
333823 |
127252375 |
1 |
ClN2O2C18H19 |
AB2C2D18E19 |
-39.04 |
3.94 |
-9.44 |
-0.54 |
0 |
|
|
333824 |
127252376 |
1 |
ON3C17H21 |
AB3C17D21 |
26.96 |
1.38 |
-8.94 |
-0.62 |
0 |
|
|
333825 |
127252377 |
1 |
ON2C18H22 |
AB2C18D22 |
13.21 |
0.98 |
-8.88 |
0.03 |
0 |
|
|
333826 |
127252378 |
1 |
ON3C18H23 |
AB3C18D23 |
18.19 |
2.25 |
-8.76 |
-0.51 |
0 |
|
|
333827 |
127252379 |
1 |
ON4C16H20 |
AB4C16D20 |
35.59 |
2.19 |
-9.04 |
-0.63 |
0 |
|
|
333828 |
127252380 |
1 |
ON3C17H21 |
AB3C17D21 |
19.94 |
1.91 |
-8.98 |
-0.08 |
0 |
|
|
333829 |
127252381 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-67.92 |
3.25 |
-9.37 |
-0.57 |
0 |
|
|
333830 |
127252382 |
1 |
ON3C17H21 |
AB3C17D21 |
1.67 |
1.24 |
-9.42 |
0.15 |
0 |