List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
166994 |
74763370 |
1 |
S2N3O4C23H27 |
A2B3C4D23E27 |
-139.3 |
4.58 |
-8.61 |
-0.79 |
0 |
|
|
166995 |
74763496 |
1 |
ON8C20H22 |
AB8C20D22 |
73.06 |
4.34 |
-8.77 |
-0.79 |
0 |
|
|
166996 |
74763497 |
1 |
ON7C21H23 |
AB7C21D23 |
53.0 |
7.42 |
-8.76 |
-0.65 |
0 |
|
|
166997 |
74764241 |
1 |
F3N3H12C14 |
A3B3C12D14 |
-81.43 |
1.44 |
-9.46 |
-0.51 |
0 |
|
|
166999 |
74764652 |
1 |
ClN2O5C15H15 |
AB2C5D15E15 |
-103.15 |
5.4 |
-7.82 |
-1.71 |
0 |
|
|
167000 |
74764653 |
1 |
IN2C27H31 |
AB2C27D31 |
104.82 |
19.22 |
-6.17 |
-1.88 |
0 |
|
|
167001 |
74764724 |
1 |
ClN2O4C37H37 |
AB2C4D37E37 |
116.7 |
15.03 |
-8.12 |
-2.27 |
0 |
|
|
167009 |
74765199 |
1 |
ClN2O3C9H19 |
AB2C3D9E19 |
-209.03 |
3.86 |
-9.84 |
0.1 |
0 |
|
|
167010 |
74765200 |
1 |
N3O13C33H37 |
A3B13C33D37 |
-544.07 |
7.15 |
-8.9 |
-0.45 |
0 |
|
|
167011 |
74765201 |
1 |
N2O5H30C32 |
A2B5C30D32 |
-123.88 |
5.57 |
-9.16 |
-0.23 |
0 |
|
|
167013 |
74765634 |
1 |
NRuH2O2 |
ABC2D2 |
46.07 |
4.02 |
0.0 |
0.0 |
0 |
|
|
167014 |
74765784 |
1 |
BSF2N3O4C21H28 |
ABC2D3E4F21G28 |
-311.59 |
7.92 |
-8.46 |
-1.23 |
0 |
|
|
167015 |
74765785 |
1 |
BN2O4C6H15 |
AB2C4D6E15 |
-259.36 |
4.09 |
-9.5 |
0.92 |
0 |
|
|
167016 |
74765906 |
1 |
ClN2O3C9H15 |
AB2C3D9E15 |
-170.36 |
4.52 |
-9.24 |
-0.15 |
0 |
|
|
167017 |
74766346 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-25.5 |
4.04 |
-9.05 |
-0.71 |
0 |
|
|
167018 |
74766347 |
1 |
N3O4C25H31 |
A3B4C25D31 |
-67.59 |
3.91 |
-7.9 |
-0.9 |
0 |
|
|
167019 |
74766348 |
1 |
BrSO3N4C14H15 |
ABC3D4E14F15 |
-15.42 |
6.52 |
-8.89 |
-1.8 |
0 |
|
|
167020 |
74766540 |
1 |
FSO2N4H21C22 |
ABC2D4E21F22 |
-16.66 |
5.09 |
-9.57 |
-1.35 |
0 |
|
|
167021 |
74766597 |
1 |
SO3N6C19H26 |
AB3C6D19E26 |
-106.03 |
5.85 |
-7.74 |
-0.73 |
0 |
|
|
167022 |
74768134 |
1 |
OSF3N3C18H18 |
ABC3D3E18F18 |
-142.06 |
8.52 |
-8.92 |
-1.11 |
0 |
|
|
167023 |
74768135 |
1 |
ClO2S2N3H14C17 |
AB2C2D3E14F17 |
20.6 |
4.92 |
-8.46 |
-1.26 |
0 |
|
|
167024 |
74768511 |
2 |
OSN2H10C11 |
ABC2D10E11 |
45.45 |
4.58 |
-8.79 |
-0.82 |
0 |
|
|
167025 |
74768731 |
1 |
SN3O3C15H15 |
AB3C3D15E15 |
-42.54 |
4.35 |
-9.26 |
-1.33 |
0 |
|
|
167026 |
74768760 |
1 |
SN2F3O4H15C20 |
AB2C3D4E15F20 |
-219.95 |
6.07 |
-9.33 |
-1.26 |
0 |
|
|
167027 |
74769109 |
1 |
N2O6H22C23 |
A2B6C22D23 |
-152.68 |
6.28 |
-9.06 |
-0.95 |
1 |
|
|
167028 |
74769110 |
1 |
SN4O5C18H23 |
AB4C5D18E23 |
-158.89 |
4.44 |
0.0 |
0.0 |
0 |
|
|
167029 |
74769626 |
1 |
NO5H25C26 |
AB5C25D26 |
-124.22 |
6.53 |
-8.35 |
-0.94 |
0 |
|
|
167030 |
74769627 |
1 |
ClN2O6C19H19 |
AB2C6D19E19 |
-208.16 |
5.67 |
-9.31 |
-1.14 |
0 |
|
|
167031 |
74769628 |
1 |
SO4H18C19 |
AB4C18D19 |
-93.18 |
1.4 |
-8.7 |
-0.75 |
0 |
|
|
167032 |
74769936 |
1 |
N2O6H20C21 |
A2B6C20D21 |
-106.09 |
1.37 |
-8.31 |
-1.65 |
1 |
|
|
167033 |
74769937 |
1 |
BrSO2N4H16C19 |
ABC2D4E16F19 |
80.71 |
2.96 |
0.0 |
0.0 |
0 |
|
|
167034 |
74770016 |
1 |
BrO2N6C16H17 |
AB2C6D16E17 |
13.96 |
5.66 |
-9.36 |
-0.96 |
0 |
|
|
167035 |
74770017 |
1 |
O3N6C17H20 |
A3B6C17D20 |
-30.46 |
5.57 |
-9.07 |
-0.69 |
0 |
|
|
167036 |
74770400 |
1 |
OSCl2N4H18C20 |
ABC2D4E18F20 |
34.42 |
4.78 |
-9.21 |
-0.83 |
0 |
|
|
167037 |
74770401 |
1 |
OSN5C22H25 |
ABC5D22E25 |
41.34 |
3.86 |
-8.85 |
-0.73 |
0 |
|
|
167038 |
74770402 |
1 |
N2O6C21H24 |
A2B6C21D24 |
-219.29 |
7.25 |
-9.51 |
-1.2 |
1 |
|
|
167040 |
74771099 |
2 |
ON2C9H11 |
AB2C9D11 |
-26.14 |
10.45 |
-9.52 |
-0.41 |
1 |
|
|
167041 |
74771100 |
1 |
SO2N4C21H23 |
AB2C4D21E23 |
4.21 |
2.9 |
0.0 |
0.0 |
0 |
|
|
167042 |
74771742 |
1 |
N3O4H17C22 |
A3B4C17D22 |
-24.78 |
3.16 |
-8.35 |
-1.02 |
0 |
|
|
167043 |
74771970 |
1 |
F3N3O4C20H24 |
A3B3C4D20E24 |
-329.45 |
1.96 |
-9.59 |
-0.18 |
1 |
|
|
167044 |
74772118 |
1 |
O3N4C11H19 |
A3B4C11D19 |
-103.6 |
3.17 |
0.0 |
0.0 |
0 |
|
|
167045 |
74772119 |
1 |
O3N4C11H18 |
A3B4C11D18 |
-127.42 |
3.38 |
-9.7 |
0.16 |
0 |
|
|
167046 |
74772257 |
1 |
N3O6H17C18 |
A3B6C17D18 |
-156.46 |
5.15 |
-8.98 |
-0.82 |
0 |
|
|
167047 |
74772258 |
1 |
N3O5H19C20 |
A3B5C19D20 |
-125.38 |
5.28 |
-8.97 |
-0.77 |
1 |
|
|
167048 |
74772357 |
1 |
ClN2O6H12C18 |
AB2C6D12E18 |
-132.13 |
2.42 |
0.0 |
0.0 |
0 |
|
|
167049 |
74772358 |
1 |
SO3N7C24H25 |
AB3C7D24E25 |
24.87 |
3.92 |
-8.52 |
-1.14 |
0 |
|
|
167050 |
74772689 |
1 |
N3O4C28H35 |
A3B4C28D35 |
-112.12 |
6.44 |
-8.72 |
-0.12 |
0 |
|
|
167051 |
74773097 |
1 |
SO2N6H16C18 |
AB2C6D16E18 |
74.76 |
6.26 |
-9.65 |
-1.98 |
0 |
|
|
167052 |
74773780 |
1 |
ClSN3O4C20H24 |
ABC3D4E20F24 |
-133.34 |
10.24 |
-8.48 |
-0.47 |
0 |
|
|
167053 |
74773834 |
1 |
BrN2S2O3C18H19 |
AB2C2D3E18F19 |
-74.59 |
2.69 |
-8.36 |
-1.19 |
0 |
|
|
167054 |
74773835 |
1 |
FON2S2H11C16 |
ABC2D2E11F16 |
19.28 |
4.7 |
-9.15 |
-1.5 |
-1 |
|
|
167055 |
74774054 |
1 |
N3O5H18C20 |
A3B5C18D20 |
-63.23 |
8.94 |
0.0 |
0.0 |
1 |
|
|
167056 |
74774448 |
1 |
FON2C18H26 |
ABC2D18E26 |
-67.55 |
5.0 |
0.0 |
0.0 |
2 |
|
|
167057 |
74774743 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-37.11 |
6.87 |
-6.53 |
-0.23 |
2 |
|
|
167058 |
74774783 |
1 |
FON5C22H34 |
ABC5D22E34 |
-51.68 |
6.56 |
-8.26 |
0.12 |
0 |
|
|
167059 |
74775049 |
1 |
ON6C23H26 |
AB6C23D26 |
90.39 |
6.65 |
-8.91 |
-0.01 |
1 |
|
|
167060 |
74775086 |
1 |
O2N3C17H24 |
A2B3C17D24 |
-11.6 |
4.61 |
0.0 |
0.0 |
1 |
|
|
167061 |
74775196 |
1 |
O3N4C21H31 |
A3B4C21D31 |
-79.44 |
3.9 |
0.0 |
0.0 |
1 |
|
|
167062 |
74775197 |
1 |
SO2N5C20H36 |
AB2C5D20E36 |
-48.38 |
8.78 |
0.0 |
0.0 |
1 |
|
|
167063 |
74775244 |
1 |
FSO2N5C22H25 |
ABC2D5E22F25 |
-10.69 |
8.95 |
0.0 |
0.0 |
1 |
|
|
167064 |
74775364 |
1 |
ClO3N5H23C25 |
AB3C5D23E25 |
12.35 |
8.43 |
0.0 |
0.0 |
0 |
|
|
167065 |
74775437 |
1 |
O5H16C19 |
A5B16C19 |
-122.33 |
1.55 |
-8.46 |
-0.91 |
0 |
|
|
167066 |
74775438 |
1 |
ClO4H19C20 |
AB4C19D20 |
-108.65 |
4.88 |
-8.32 |
-1.11 |
-1 |
|
|
167067 |
74775583 |
1 |
N2O3H11C13 |
A2B3C11D13 |
-44.9 |
2.97 |
0.0 |
0.0 |
0 |
|
|
167068 |
74775720 |
1 |
SN2O6H18C21 |
AB2C6D18E21 |
-67.85 |
7.81 |
-8.79 |
-1.64 |
0 |
|
|
167069 |
74775721 |
1 |
NO4H17C18 |
AB4C17D18 |
-46.92 |
6.12 |
-9.28 |
-1.6 |
0 |
|
|
167070 |
74776534 |
1 |
O4N6C19H24 |
A4B6C19D24 |
-92.59 |
3.49 |
-8.56 |
-0.57 |
0 |
|
|
167071 |
74776630 |
1 |
F2O2N7C23H23 |
A2B2C7D23E23 |
-55.77 |
9.07 |
-8.33 |
-1.31 |
0 |
|
|
167072 |
74776631 |
1 |
F2O2N7C23H23 |
A2B2C7D23E23 |
-52.42 |
7.01 |
-8.41 |
-1.39 |
0 |
|
|
167073 |
74776633 |
1 |
O2F3N7C24H24 |
A2B3C7D24E24 |
-121.06 |
8.9 |
-8.3 |
-1.36 |
0 |
|
|
167074 |
74776763 |
1 |
S2N3O4C20H25 |
A2B3C4D20E25 |
-155.17 |
2.51 |
-8.88 |
-0.91 |
1 |
|
|
167075 |
74777167 |
1 |
FON2C21H30 |
ABC2D21E30 |
-66.99 |
4.96 |
0.0 |
0.0 |
1 |
|
|
167076 |
74777179 |
1 |
F2N2O2C22H25 |
A2B2C2D22E25 |
-119.61 |
3.15 |
0.0 |
0.0 |
1 |
|
|
167077 |
74777491 |
1 |
N2O5C22H31 |
A2B5C22D31 |
-135.45 |
7.43 |
0.0 |
0.0 |
0 |
|
|
167078 |
74777850 |
1 |
N3O4C26H33 |
A3B4C26D33 |
-135.18 |
3.88 |
-8.77 |
-1.05 |
0 |
|
|
167079 |
74777855 |
1 |
ClN2O5C21H21 |
AB2C5D21E21 |
-96.44 |
2.63 |
-8.82 |
-0.71 |
0 |
|
|
167080 |
74777918 |
1 |
N5O5C19H31 |
A5B5C19D31 |
-227.16 |
9.02 |
-9.33 |
0.24 |
1 |
|
|
167081 |
74777919 |
1 |
N3O5C24H30 |
A3B5C24D30 |
-154.14 |
5.41 |
0.0 |
0.0 |
0 |
|
|
167082 |
74778123 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-116.87 |
4.21 |
-8.56 |
0.17 |
1 |
|
|
167083 |
74778124 |
1 |
O2N6C22H29 |
A2B6C22D29 |
35.22 |
4.7 |
0.0 |
0.0 |
1 |
|
|
167084 |
74778195 |
1 |
ON4C23H31 |
AB4C23D31 |
46.49 |
2.71 |
0.0 |
0.0 |
1 |
|
|
167085 |
74778346 |
1 |
ClON4C23H30 |
ABC4D23E30 |
14.26 |
5.36 |
0.0 |
0.0 |
0 |
|
|
167086 |
74778844 |
1 |
OSN5C20H23 |
ABC5D20E23 |
50.12 |
5.68 |
-8.23 |
-0.37 |
1 |
|
|
167087 |
74779043 |
1 |
ClN4C19H28 |
AB4C19D28 |
47.94 |
12.1 |
0.0 |
0.0 |
0 |
|
|
167088 |
74779044 |
1 |
FN3O3C19H20 |
AB3C3D19E20 |
-120.03 |
2.83 |
-9.49 |
-0.39 |
1 |
|
|
167089 |
74779045 |
1 |
N2O2C20H27 |
A2B2C20D27 |
-27.33 |
9.47 |
0.0 |
0.0 |
1 |
|
|
167090 |
74779195 |
1 |
O3N5C19H20 |
A3B5C19D20 |
-21.82 |
2.95 |
0.0 |
0.0 |
0 |
|
|
167091 |
74779196 |
1 |
O3N5C19H19 |
A3B5C19D19 |
3.0 |
3.82 |
-8.57 |
-1.61 |
0 |
|
|
167092 |
74779379 |
1 |
O2N5C23H35 |
A2B5C23D35 |
-58.65 |
7.28 |
-8.62 |
0.23 |
1 |
|
|
167093 |
74779403 |
1 |
O3N5C23H34 |
A3B5C23D34 |
-80.99 |
5.84 |
0.0 |
0.0 |
1 |
|
|
167094 |
74779404 |
1 |
OS2N4C21H31 |
AB2C4D21E31 |
32.92 |
3.11 |
0.0 |
0.0 |
1 |
|
|
167095 |
74779405 |
1 |
N3O4C17H18 |
A3B4C17D18 |
-88.51 |
3.51 |
0.0 |
0.0 |
-1 |
|
|
167096 |
74779406 |
1 |
N2S2O3C12H15 |
A2B2C3D12E15 |
-48.13 |
15.54 |
0.0 |
0.0 |
-1 |
|
|
167097 |
74779407 |
1 |
N2S2O4C12H15 |
A2B2C4D12E15 |
-103.75 |
6.69 |
0.0 |
0.0 |
1 |
|
|
167098 |
74779428 |
1 |
SO2N4C20H23 |
AB2C4D20E23 |
38.05 |
8.33 |
0.0 |
0.0 |
0 |
|
|
167099 |
74779765 |
1 |
ClN2O6H17C18 |
AB2C6D17E18 |
-136.55 |
3.76 |
-9.12 |
-1.61 |
0 |
|
|
167100 |
74779766 |
1 |
BrN4O6H15C19 |
AB4C6D15E19 |
-56.63 |
6.76 |
-9.93 |
-1.51 |
0 |
|
|
167101 |
74779767 |
1 |
SN3O6H15C18 |
AB3C6D15E18 |
-58.01 |
4.4 |
-9.42 |
-1.61 |
0 |
|
|
167102 |
74779768 |
1 |
ClNO5H18C19 |
ABC5D18E19 |
-173.19 |
5.31 |
-9.91 |
-0.75 |
0 |
|
|
167103 |
74779769 |
1 |
SN2O6C24H32 |
AB2C6D24E32 |
-228.15 |
6.4 |
-8.76 |
-1.02 |
0 |