List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
132008 |
51290538 |
1 |
ClN3O3C19H24 |
AB3C3D19E24 |
-82.83 |
7.7 |
-8.15 |
-0.04 |
0 |
|
|
132009 |
51290577 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-76.26 |
5.08 |
-8.37 |
0.44 |
0 |
|
|
132010 |
51290578 |
1 |
N2O2F3C14H17 |
A2B2C3D14E17 |
-184.03 |
5.77 |
-9.35 |
-0.64 |
0 |
|
|
132011 |
51290579 |
2 |
NO2C8H12 |
AB2C8D12 |
-136.03 |
4.4 |
-8.49 |
0.0 |
0 |
|
|
132012 |
51290736 |
1 |
OSN5C18H21 |
ABC5D18E21 |
37.42 |
2.69 |
-8.66 |
-0.72 |
0 |
|
|
132013 |
51290860 |
1 |
O2N5C19H21 |
A2B5C19D21 |
10.87 |
4.06 |
-8.97 |
-0.93 |
0 |
|
|
132014 |
51290861 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-123.82 |
6.71 |
-8.64 |
-0.05 |
0 |
|
|
132015 |
51291188 |
1 |
N2O2F4H16C17 |
A2B2C4D16E17 |
-243.99 |
1.13 |
-9.56 |
-0.56 |
0 |
|
|
132016 |
51291467 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-82.25 |
6.97 |
-9.16 |
-0.58 |
0 |
|
|
132017 |
51291865 |
1 |
OF2N3C16H19 |
AB2C3D16E19 |
-106.86 |
1.55 |
-9.16 |
-0.4 |
0 |
|
|
132018 |
51292288 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-24.28 |
3.72 |
-9.34 |
-1.27 |
0 |
|
|
132019 |
51292289 |
1 |
FNO2C20H22 |
ABC2D20E22 |
-77.75 |
4.57 |
-8.83 |
-0.12 |
0 |
|
|
132020 |
51292464 |
1 |
FOSN4C17H17 |
ABCD4E17F17 |
-9.12 |
3.37 |
-9.07 |
-1.02 |
0 |
|
|
132021 |
51293135 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-75.56 |
8.55 |
-8.95 |
-0.93 |
0 |
|
|
132022 |
51293333 |
1 |
ClSN2O4C16H23 |
ABC2D4E16F23 |
-166.83 |
2.36 |
-9.48 |
-1.11 |
0 |
|
|
132023 |
51293334 |
1 |
SCl2N2O4C15H18 |
AB2C2D4E15F18 |
-136.76 |
1.86 |
-9.58 |
-1.45 |
0 |
|
|
132024 |
51293335 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-95.34 |
3.08 |
-9.36 |
-0.88 |
0 |
|
|
132025 |
51293680 |
1 |
OS2N5C15H17 |
AB2C5D15E17 |
37.4 |
4.75 |
-8.57 |
-0.87 |
0 |
|
|
132026 |
51293738 |
1 |
N3O4C19H31 |
A3B4C19D31 |
-209.51 |
2.01 |
-9.43 |
0.19 |
0 |
|
|
132027 |
51294601 |
1 |
O2S2N3C15H21 |
A2B2C3D15E21 |
-26.03 |
1.63 |
-8.43 |
-0.71 |
0 |
|
|
132028 |
51294750 |
1 |
FSN2O2C18H21 |
ABC2D2E18F21 |
-85.27 |
2.94 |
-9.26 |
-0.36 |
0 |
|
|
132029 |
51295040 |
1 |
N3O5C18H19 |
A3B5C18D19 |
-153.24 |
1.62 |
-8.71 |
-1.06 |
0 |
|
|
132030 |
51295213 |
1 |
FSN2O3C20H23 |
ABC2D3E20F23 |
-117.26 |
5.31 |
-9.35 |
-0.64 |
0 |
|
|
132031 |
51295657 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-89.29 |
3.26 |
-8.27 |
-0.38 |
0 |
|
|
132032 |
51296228 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-121.66 |
3.45 |
-8.56 |
-0.66 |
0 |
|
|
132033 |
51296278 |
1 |
SN3O3C12H15 |
AB3C3D12E15 |
-97.02 |
5.51 |
-9.27 |
-1.28 |
0 |
|
|
132034 |
51296279 |
2 |
NO3C8H9 |
AB3C8D9 |
-138.67 |
5.88 |
-9.33 |
-1.57 |
0 |
|
|
132035 |
51296280 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-5.43 |
4.51 |
-9.07 |
-0.89 |
0 |
|
|
132036 |
51296307 |
1 |
FNOSC19H20 |
ABCDE19F20 |
-36.57 |
2.6 |
-9.1 |
-0.23 |
0 |
|
|
132037 |
51296308 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
-87.15 |
2.74 |
-8.96 |
-1.08 |
0 |
|
|
132038 |
51296407 |
1 |
ClNO2S2H12C15 |
ABC2D2E12F15 |
-17.32 |
2.37 |
-8.95 |
-1.73 |
0 |
|
|
132039 |
51297995 |
1 |
SF2N2O3C17H18 |
AB2C2D3E17F18 |
-182.93 |
4.98 |
-10.04 |
-0.76 |
0 |
|
|
132040 |
51298066 |
1 |
ClSN2O4C17H19 |
ABC2D4E17F19 |
-129.87 |
4.43 |
-9.14 |
-0.82 |
0 |
|
|
132041 |
51298260 |
1 |
ClN2O4C17H17 |
AB2C4D17E17 |
-51.75 |
7.16 |
-9.0 |
-1.66 |
0 |
|
|
132042 |
51298579 |
1 |
ON5C21H21 |
AB5C21D21 |
65.22 |
3.63 |
-8.65 |
-0.41 |
0 |
|
|
132043 |
51298808 |
1 |
ClO2F3N3H15C16 |
AB2C3D3E15F16 |
-178.28 |
2.49 |
-9.1 |
-0.88 |
0 |
|
|
132044 |
51298809 |
1 |
ClOF3N5H15C16 |
ABC3D5E15F16 |
-124.24 |
6.18 |
-9.17 |
-1.05 |
0 |
|
|
132045 |
51298810 |
1 |
ClO2F3N4C16H16 |
AB2C3D4E16F16 |
-157.11 |
4.41 |
-9.04 |
-0.9 |
0 |
|
|
132046 |
51298811 |
1 |
ClO2F3N3H15C16 |
AB2C3D3E15F16 |
-180.36 |
2.52 |
-9.07 |
-0.87 |
0 |
|
|
132047 |
51299026 |
2 |
ON3C9H10 |
AB3C9D10 |
-5.46 |
5.31 |
-8.8 |
-0.33 |
0 |
|
|
132048 |
51299027 |
1 |
N2O2F3C21H23 |
A2B2C3D21E23 |
-203.81 |
3.68 |
-8.62 |
-0.4 |
0 |
|
|
132049 |
51299497 |
1 |
ClN3O4H16C18 |
AB3C4D16E18 |
-110.15 |
5.22 |
-8.36 |
-0.61 |
0 |
|
|
132050 |
51300342 |
1 |
O2N3H19C22 |
A2B3C19D22 |
-3.05 |
7.52 |
-8.2 |
-0.51 |
0 |
|
|
132051 |
51300518 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-79.29 |
6.15 |
-8.2 |
-0.4 |
0 |
|
|
132052 |
51300519 |
1 |
O2S2N4H14C17 |
A2B2C4D14E17 |
18.33 |
7.17 |
-8.23 |
-1.35 |
0 |
|
|
132053 |
51300520 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-27.77 |
7.14 |
-8.22 |
-0.02 |
0 |
|
|
132054 |
51300538 |
1 |
O4N5C9H13 |
A4B5C9D13 |
-81.68 |
6.84 |
-10.42 |
-0.93 |
0 |
|
|
132055 |
51300841 |
1 |
OF3N5H14C15 |
AB3C5D14E15 |
-73.48 |
11.69 |
-9.22 |
-1.19 |
0 |
|
|
132056 |
51300851 |
2 |
ON2C8H9 |
AB2C8D9 |
-23.22 |
6.51 |
-9.5 |
-1.1 |
0 |
|
|
132057 |
51300852 |
1 |
N3O3C19H21 |
A3B3C19D21 |
13.57 |
3.75 |
-9.3 |
-1.02 |
0 |
|
|
132058 |
51300853 |
1 |
SF3N6H13C17 |
AB3C6D13E17 |
-8.56 |
8.82 |
-9.1 |
-1.3 |
0 |
|
|
132059 |
51300854 |
1 |
SN4H14C17 |
AB4C14D17 |
107.22 |
5.65 |
-8.53 |
-0.89 |
0 |
|
|
132060 |
51300961 |
1 |
ClO2N4C19H27 |
AB2C4D19E27 |
-61.82 |
6.73 |
-8.83 |
-0.25 |
0 |
|
|
132061 |
51300962 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-53.73 |
3.2 |
-8.68 |
-0.18 |
0 |
|
|
132062 |
51300963 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-33.19 |
7.01 |
-8.71 |
-0.65 |
0 |
|
|
132063 |
51301059 |
1 |
SN4O5C15H24 |
AB4C5D15E24 |
-165.87 |
6.09 |
-9.05 |
0.03 |
0 |
|
|
132064 |
51301504 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-57.61 |
8.7 |
-9.05 |
-0.82 |
0 |
|
|
132065 |
51301505 |
1 |
SO2N3C20H25 |
AB2C3D20E25 |
-44.45 |
0.28 |
-8.77 |
-0.78 |
0 |
|
|
132066 |
51301554 |
1 |
ON3C17H19 |
AB3C17D19 |
10.26 |
3.64 |
-8.58 |
-0.29 |
0 |
|
|
132067 |
51301966 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-86.21 |
2.9 |
-8.6 |
0.08 |
0 |
|
|
132068 |
51301967 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-57.01 |
8.73 |
-9.02 |
-1.13 |
0 |
|
|
132069 |
51301968 |
1 |
SO3N5C13H15 |
AB3C5D13E15 |
-30.97 |
5.46 |
-8.76 |
-0.68 |
0 |
|
|
132070 |
51301969 |
1 |
SN4O4C12H14 |
AB4C4D12E14 |
-148.96 |
3.55 |
-9.37 |
-0.56 |
0 |
|
|
132071 |
51302370 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-65.04 |
7.9 |
-8.98 |
-1.09 |
0 |
|
|
132072 |
51302371 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-98.27 |
3.64 |
-9.46 |
-1.0 |
0 |
|
|
132073 |
51302436 |
2 |
OSN2H8C9 |
ABC2D8E9 |
62.85 |
7.35 |
-8.75 |
-0.83 |
0 |
|
|
132074 |
51302627 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-104.2 |
5.67 |
-8.23 |
0.07 |
0 |
|
|
132075 |
51302926 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-43.01 |
2.16 |
-8.7 |
-0.34 |
0 |
|
|
132076 |
51303055 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-112.31 |
3.12 |
-8.58 |
0.07 |
0 |
|
|
132077 |
51303056 |
1 |
Cl2N2O3C18H18 |
A2B2C3D18E18 |
-81.88 |
3.05 |
-8.73 |
-0.54 |
0 |
|
|
132078 |
51303305 |
1 |
N4O4C17H22 |
A4B4C17D22 |
-85.89 |
4.21 |
-8.42 |
0.01 |
0 |
|
|
132079 |
51303345 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-109.93 |
4.31 |
-8.52 |
0.04 |
0 |
|
|
132080 |
51303353 |
1 |
SN2O2C15H22 |
AB2C2D15E22 |
-73.66 |
2.48 |
-8.9 |
-0.35 |
0 |
|
|
132081 |
51303644 |
1 |
ClFO2N3H15C18 |
ABC2D3E15F18 |
-85.43 |
4.49 |
-9.5 |
-0.9 |
0 |
|
|
132082 |
51303773 |
1 |
ON3S3C17H17 |
AB3C3D17E17 |
28.92 |
4.95 |
-8.7 |
-0.97 |
0 |
|
|
132083 |
51304041 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-111.85 |
7.64 |
-8.96 |
0.28 |
0 |
|
|
132084 |
51304213 |
1 |
NOSC16H17 |
ABCD16E17 |
-13.54 |
5.03 |
-8.94 |
-0.8 |
0 |
|
|
132085 |
51304214 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-11.47 |
3.36 |
-8.66 |
-0.61 |
0 |
|
|
132086 |
51304260 |
1 |
ClSO2N4C16H19 |
ABC2D4E16F19 |
-11.88 |
4.15 |
-8.95 |
-0.44 |
0 |
|
|
132087 |
51304261 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-54.5 |
5.83 |
-8.92 |
-0.79 |
0 |
|
|
132088 |
51304348 |
1 |
ON6C14H16 |
AB6C14D16 |
109.84 |
10.34 |
-9.08 |
-1.24 |
0 |
|
|
132089 |
51304408 |
1 |
FOS2N5C15H16 |
ABC2D5E15F16 |
27.72 |
4.18 |
-8.57 |
-1.26 |
0 |
|
|
132090 |
51304425 |
1 |
SN4O4C17H20 |
AB4C4D17E20 |
-96.97 |
6.77 |
-8.51 |
-0.79 |
0 |
|
|
132091 |
51304499 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-52.54 |
7.04 |
-8.96 |
0.07 |
0 |
|
|
132092 |
51304722 |
1 |
OSF3N6C15H15 |
ABC3D6E15F15 |
-50.07 |
3.24 |
-9.64 |
-1.36 |
0 |
|
|
132093 |
51304725 |
2 |
NO2C9H11 |
AB2C9D11 |
-139.51 |
3.33 |
-8.84 |
-0.4 |
0 |
|
|
132094 |
51304726 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-77.22 |
1.26 |
-8.73 |
-0.69 |
0 |
|
|
132095 |
51304786 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-86.47 |
7.1 |
-8.94 |
0.23 |
0 |
|
|
132096 |
51304787 |
1 |
O2N5C19H21 |
A2B5C19D21 |
11.91 |
7.09 |
-9.34 |
-0.77 |
0 |
|
|
132097 |
51305446 |
1 |
FSO2N4C17H17 |
ABC2D4E17F17 |
-55.81 |
6.31 |
-8.93 |
-1.75 |
0 |
|
|
132098 |
51305479 |
1 |
ON3C21H21 |
AB3C21D21 |
49.72 |
4.54 |
-9.02 |
-0.92 |
0 |
|
|
132099 |
51305657 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-156.06 |
5.23 |
-9.11 |
-0.24 |
0 |
|
|
132100 |
51305753 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-95.81 |
3.1 |
-8.75 |
-0.53 |
0 |
|
|
132101 |
51305754 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-70.16 |
3.28 |
-8.74 |
-0.73 |
0 |
|
|
132102 |
51305805 |
1 |
SF2N2O3H14C17 |
AB2C2D3E14F17 |
-111.03 |
2.74 |
-9.29 |
-1.22 |
0 |
|
|
132103 |
51305940 |
1 |
ClN2O4C16H17 |
AB2C4D16E17 |
-110.95 |
3.66 |
-9.15 |
-0.76 |
0 |
|
|
132104 |
51306038 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-88.59 |
2.7 |
-8.62 |
-0.33 |
0 |
|
|
132105 |
51306448 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-180.02 |
4.8 |
-8.87 |
-0.28 |
0 |
|
|
132106 |
51306449 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-174.68 |
5.0 |
-9.43 |
-0.06 |
0 |
|
|
132107 |
51306450 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-177.71 |
2.59 |
-9.49 |
0.06 |
0 |