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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
43057 |
10318249 |
1 |
N2O2C25H30 |
A2B2C25D30 |
-31.47 |
3.34 |
-9.29 |
-0.48 |
0 |
|
|
43058 |
10318251 |
1 |
N2S2O3C19H22 |
A2B2C3D19E22 |
-93.95 |
1.6 |
-8.65 |
-0.87 |
0 |
|
|
43059 |
10318253 |
1 |
SiO7C18H34 |
AB7C18D34 |
-364.51 |
4.83 |
-8.83 |
0.05 |
0 |
|
|
43060 |
10318258 |
1 |
ON2C26H34 |
AB2C26D34 |
-21.63 |
4.03 |
-9.07 |
-0.68 |
0 |
|
|
43061 |
10318261 |
1 |
OSiN2C24H30 |
ABC2D24E30 |
-23.49 |
1.49 |
-9.09 |
-0.24 |
0 |
|
|
43062 |
10318264 |
1 |
SiO3C23H38 |
AB3C23D38 |
-205.51 |
3.57 |
-9.18 |
0.51 |
0 |
|
|
43063 |
10318267 |
1 |
ClO2N4H15C21 |
AB2C4D15E21 |
23.75 |
4.9 |
-9.49 |
-1.13 |
0 |
|
|
43064 |
10318270 |
1 |
ClFN2O2C21H24 |
ABC2D2E21F24 |
-113.28 |
2.47 |
-8.88 |
-0.48 |
0 |
|
|
43065 |
10318273 |
2 |
ClNOC10H10 |
ABCD10E10 |
-61.41 |
6.65 |
-8.59 |
-1.12 |
0 |
|
|
43066 |
10318276 |
1 |
O2F3N7H12C16 |
A2B3C7D12E16 |
-116.62 |
8.94 |
-9.43 |
-1.35 |
0 |
|
|
43067 |
10318279 |
1 |
FNNaO4H19C21 |
ABCD4E19F21 |
-207.9 |
10.98 |
-8.16 |
-0.27 |
0 |
|
|
43068 |
10318294 |
1 |
NS2O5H17C18 |
AB2C5D17E18 |
-112.07 |
2.94 |
-9.96 |
-0.78 |
0 |
|
|
43069 |
10318300 |
1 |
O2N5C22H25 |
A2B5C22D25 |
7.29 |
1.19 |
-8.68 |
-0.38 |
0 |
|
|
43070 |
10318306 |
1 |
NO5C22H33 |
AB5C22D33 |
-226.79 |
0.91 |
-9.68 |
-0.43 |
0 |
|
|
43071 |
10318320 |
1 |
ClN3O4C19H22 |
AB3C4D19E22 |
-128.11 |
4.91 |
-8.3 |
-0.83 |
0 |
|
|
43072 |
10318323 |
1 |
ClNSO3C20H22 |
ABCD3E20F22 |
-71.71 |
5.97 |
-9.43 |
-0.65 |
0 |
|
|
43073 |
10318324 |
1 |
ClNO3C22H30 |
ABC3D22E30 |
-99.91 |
4.44 |
-8.11 |
0.22 |
0 |
|
|
43074 |
10318342 |
1 |
O5C24H24 |
A5B24C24 |
-158.81 |
3.05 |
-9.28 |
-0.76 |
0 |
|
|
43075 |
10318343 |
1 |
O5C24H24 |
A5B24C24 |
-136.72 |
2.35 |
-8.4 |
-0.06 |
0 |
|
|
43076 |
10318344 |
1 |
O5C24H24 |
A5B24C24 |
-115.8 |
3.13 |
-8.46 |
-1.14 |
0 |
|
|
43077 |
10318347 |
1 |
N2O4C23H24 |
A2B4C23D24 |
-91.26 |
3.46 |
-9.28 |
-0.42 |
0 |
|
|
43078 |
10318352 |
1 |
O2N6C21H24 |
A2B6C21D24 |
42.8 |
1.68 |
-8.81 |
-0.77 |
0 |
|
|
43079 |
10318359 |
1 |
O4C25H28 |
A4B25C28 |
-139.07 |
3.83 |
-8.7 |
-0.74 |
0 |
|
|
43080 |
10318362 |
1 |
O4C25H28 |
A4B25C28 |
-118.41 |
3.14 |
-9.37 |
0.12 |
0 |
|
|
43081 |
10318367 |
2 |
NSO2C9H10 |
ABC2D9E10 |
-119.48 |
3.95 |
-9.5 |
-1.55 |
0 |
|
|
43082 |
10318368 |
1 |
O2N4C23H28 |
A2B4C23D28 |
-38.7 |
7.82 |
-8.49 |
-0.15 |
0 |
|
|
43083 |
10318375 |
1 |
O7C20H40 |
A7B20C40 |
-364.0 |
3.54 |
-10.02 |
1.02 |
0 |
|
|
43084 |
10318381 |
1 |
ON2C26H36 |
AB2C26D36 |
-6.81 |
4.92 |
-8.12 |
-0.38 |
0 |
|
|
43085 |
10318390 |
1 |
ClSO2N4C18H21 |
ABC2D4E18F21 |
-41.42 |
2.67 |
-8.58 |
-0.72 |
0 |
|
|
43086 |
10318395 |
2 |
ClO2H9C10 |
AB2C9D10 |
-85.05 |
2.35 |
-9.63 |
-0.68 |
0 |
|
|
43087 |
10318403 |
1 |
NO7H15C21 |
AB7C15D21 |
-98.54 |
5.24 |
-10.03 |
-1.9 |
0 |
|
|
43088 |
10318405 |
1 |
BrO2C21H29 |
AB2C21D29 |
-110.15 |
5.28 |
-8.61 |
0.24 |
0 |
|
|
43089 |
10318409 |
1 |
OPSeN2C17H35 |
ABCD2E17F35 |
-107.56 |
3.97 |
-7.41 |
0.42 |
0 |
|
|
43090 |
10318419 |
1 |
FO2N3C23H24 |
AB2C3D23E24 |
-64.16 |
8.59 |
-8.17 |
-1.01 |
0 |
|
|
43091 |
10318421 |
1 |
SO2N5H19C20 |
AB2C5D19E20 |
46.87 |
3.32 |
-8.32 |
-1.2 |
0 |
|
|
43092 |
10318422 |
1 |
FNSO4C20H24 |
ABCD4E20F24 |
-184.63 |
3.23 |
-8.9 |
-0.74 |
0 |
|
|
43093 |
10318445 |
1 |
ClS2N3O4C14H20 |
AB2C3D4E14F20 |
47.4 |
11.9 |
-9.76 |
-2.24 |
0 |
|
|
43094 |
10318451 |
1 |
BrFN3H13C20 |
ABC3D13E20 |
70.23 |
4.79 |
-9.09 |
-1.03 |
0 |
|
|
43095 |
10318454 |
1 |
SCl2O2N3H13C17 |
AB2C2D3E13F17 |
-7.74 |
5.16 |
-8.54 |
-1.09 |
0 |
|
|
43096 |
10318470 |
1 |
ON2S2F3H13C18 |
AB2C2D3E13F18 |
-117.17 |
7.99 |
-9.41 |
-1.66 |
0 |
|
|
43097 |
10318474 |
1 |
SO3N4H18C20 |
AB3C4D18E20 |
-21.24 |
3.11 |
-8.79 |
-1.43 |
0 |
|
|
43098 |
10318475 |
1 |
O7C21H30 |
A7B21C30 |
-289.94 |
3.47 |
-9.89 |
-0.46 |
0 |
|
|
43099 |
10318494 |
1 |
SO2N4C20H34 |
AB2C4D20E34 |
-77.32 |
4.07 |
-8.48 |
0.11 |
0 |
|
|
43100 |
10318534 |
5 |
NC5H5 |
AB5C5 |
167.49 |
4.05 |
-9.1 |
-0.6 |
0 |
|
|
43101 |
10318549 |
1 |
N2Cl3O3H9C17 |
A2B3C3D9E17 |
-36.69 |
3.55 |
-9.8 |
-1.32 |
0 |
|
|
43102 |
10318557 |
1 |
BFNOCl2H13C21 |
ABCDE2F13G21 |
-34.57 |
4.46 |
-9.36 |
-1.04 |
0 |
|
|
43103 |
10318559 |
1 |
BrN7H14C17 |
AB7C14D17 |
149.9 |
6.42 |
-8.57 |
-0.85 |
0 |
|
|
43104 |
10318567 |
1 |
O6C21H26 |
A6B21C26 |
-262.51 |
3.31 |
-9.93 |
-1.14 |
0 |
|
|
43105 |
10318568 |
1 |
FN2O6C19H25 |
AB2C6D19E25 |
-294.9 |
4.85 |
-9.74 |
-0.61 |
0 |
|
|
43106 |
10318573 |
1 |
FO3N4C21H21 |
AB3C4D21E21 |
-104.26 |
10.5 |
-8.67 |
-1.18 |
0 |
|
|
43107 |
10318579 |
1 |
SN4O5C17H24 |
AB4C5D17E24 |
-174.57 |
10.15 |
-9.16 |
-1.16 |
0 |
|
|
43108 |
10318583 |
1 |
SO4C23H24 |
AB4C23D24 |
-108.81 |
5.49 |
-9.49 |
-1.15 |
0 |
|
|
43109 |
10318597 |
1 |
SO3N4C19H32 |
AB3C4D19E32 |
-125.39 |
3.15 |
-8.24 |
0.18 |
0 |
|
|
43110 |
10318627 |
1 |
NO6C22H23 |
AB6C22D23 |
-115.36 |
6.12 |
-9.66 |
-1.15 |
0 |
|
|
43111 |
10318628 |
1 |
N3O3H19C24 |
A3B3C19D24 |
20.66 |
10.41 |
-9.18 |
-1.11 |
0 |
|
|
43112 |
10318629 |
1 |
N3O3H19C24 |
A3B3C19D24 |
-2.22 |
4.54 |
-9.2 |
-1.38 |
0 |
|
|
43113 |
10318637 |
1 |
O2N7C20H27 |
A2B7C20D27 |
-23.97 |
7.8 |
-8.3 |
-0.77 |
0 |
|
|
43114 |
10318653 |
1 |
BClNOF4H17C19 |
ABCDE4F17G19 |
-287.33 |
12.24 |
-9.72 |
-2.22 |
0 |
|
|
43115 |
10318658 |
1 |
ClFSO2N5C16H17 |
ABCD2E5F16G17 |
-36.7 |
7.2 |
-8.84 |
-0.57 |
0 |
|
|
43116 |
10318660 |
1 |
ClO2N3C22H24 |
AB2C3D22E24 |
-32.05 |
1.98 |
-8.73 |
-0.82 |
0 |
|
|
43117 |
10318677 |
1 |
PO5C21H35 |
AB5C21D35 |
-286.21 |
2.93 |
-9.22 |
0.1 |
0 |
|
|
43118 |
10318685 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-116.44 |
3.74 |
-8.42 |
-0.17 |
0 |
|
|
43119 |
10318729 |
1 |
O4N7C18H21 |
A4B7C18D21 |
-61.72 |
3.23 |
-8.77 |
-0.76 |
0 |
|
|
43120 |
10318849 |
1 |
OF3N5H18C20 |
AB3C5D18E20 |
-102.49 |
5.16 |
-9.02 |
-1.0 |
0 |
|
|
43121 |
10318850 |
1 |
NO7C21H23 |
AB7C21D23 |
-181.28 |
4.32 |
-8.39 |
-0.84 |
0 |
|
|
43122 |
10318851 |
1 |
NO5H19C24 |
AB5C19D24 |
-120.57 |
6.02 |
-8.42 |
-0.94 |
0 |
|
|
43123 |
10318854 |
1 |
O3N5H19C22 |
A3B5C19D22 |
28.31 |
0.98 |
-8.76 |
-0.75 |
0 |
|
|
43124 |
10318855 |
1 |
OF3N3C22H22 |
AB3C3D22E22 |
-143.67 |
7.09 |
-8.63 |
-0.95 |
0 |
|
|
43125 |
10318856 |
1 |
SF2O2N3H17C20 |
AB2C2D3E17F20 |
-103.76 |
4.48 |
-8.66 |
-0.72 |
0 |
|
|
43126 |
10318858 |
1 |
SN3O7C16H23 |
AB3C7D16E23 |
-202.88 |
6.06 |
-9.55 |
-0.76 |
0 |
|
|
43127 |
10318859 |
1 |
LiN5H24C25 |
AB5C24D25 |
115.02 |
4.76 |
-6.9 |
-0.64 |
0 |
|
|
43128 |
10318860 |
1 |
NF2O3C23H25 |
AB2C3D23E25 |
-183.32 |
2.34 |
-9.12 |
-0.18 |
0 |
|
|
43129 |
10318867 |
1 |
OSF2N3C21H21 |
ABC2D3E21F21 |
-57.77 |
4.13 |
-8.52 |
-0.76 |
0 |
|
|
43130 |
10318871 |
1 |
FO2N5C21H28 |
AB2C5D21E28 |
-64.12 |
3.45 |
-9.21 |
-1.21 |
0 |
|
|
43131 |
10318872 |
1 |
NO5C23H31 |
AB5C23D31 |
-181.7 |
3.47 |
-8.01 |
-0.25 |
0 |
|
|
43132 |
10318874 |
1 |
NO3C26H27 |
AB3C26D27 |
-47.73 |
2.56 |
-8.15 |
-0.05 |
0 |
|
|
43133 |
10318875 |
1 |
O2N3C25H27 |
A2B3C25D27 |
21.71 |
3.18 |
-8.66 |
-0.74 |
0 |
|
|
43134 |
10318891 |
1 |
BrClN2O3C16H18 |
ABC2D3E16F18 |
-132.23 |
5.24 |
-9.16 |
-0.72 |
0 |
|
|
43135 |
10318893 |
1 |
ClCoN2O2C19H21 |
ABC2D2E19F21 |
-34.53 |
31.87 |
0.0 |
0.0 |
0 |
|
|
43136 |
10318894 |
1 |
ClN3O4C20H20 |
AB3C4D20E20 |
-124.36 |
7.91 |
-9.06 |
-1.1 |
0 |
|
|
43137 |
10318895 |
1 |
ClSN3O3H16C19 |
ABC3D3E16F19 |
-59.2 |
3.28 |
-8.91 |
-1.1 |
0 |
|
|
43138 |
10318896 |
1 |
ClO2N5C20H24 |
AB2C5D20E24 |
2.98 |
1.33 |
-8.68 |
-0.93 |
0 |
|
|
43139 |
10318905 |
1 |
BrNO3C20H20 |
ABC3D20E20 |
-64.03 |
1.72 |
-8.3 |
-0.68 |
0 |
|
|
43140 |
10318907 |
1 |
NSeO6C16H21 |
ABC6D16E21 |
-133.86 |
8.43 |
-9.2 |
-0.96 |
0 |
|
|
43141 |
10318908 |
1 |
BrNSO3C17H24 |
ABCD3E17F24 |
-138.86 |
5.06 |
-9.48 |
-0.56 |
0 |
|
|
43142 |
10318909 |
2 |
NO5C8H11 |
AB5C8D11 |
-446.84 |
3.45 |
-10.07 |
-0.55 |
0 |
|
|
43143 |
10318910 |
1 |
IN2C18H31 |
AB2C18D31 |
-8.43 |
6.32 |
-7.74 |
-0.6 |
0 |
|
|
43144 |
10318911 |
1 |
N4O9C15H22 |
A4B9C15D22 |
-337.23 |
5.07 |
-9.47 |
-1.21 |
0 |
|
|
43145 |
10318912 |
1 |
OF6H20C21 |
AB6C20D21 |
-335.93 |
4.92 |
-9.41 |
-1.1 |
0 |
|
|
43146 |
10318916 |
1 |
SN2O8C16H22 |
AB2C8D16E22 |
-283.38 |
6.4 |
-9.57 |
-0.63 |
0 |
|
|
43147 |
10318919 |
1 |
SN2F3O3C18H21 |
AB2C3D3E18F21 |
-247.58 |
4.47 |
-9.94 |
-1.27 |
0 |
|
|
43148 |
10318920 |
1 |
SO2N6H14C20 |
AB2C6D14E20 |
64.51 |
8.45 |
-9.08 |
-1.35 |
0 |
|
|
43149 |
10318922 |
1 |
O7C22H26 |
A7B22C26 |
-255.05 |
5.48 |
-8.4 |
0.0 |
0 |
|
|
43150 |
10318923 |
2 |
NO2H11C12 |
AB2C11D12 |
-43.31 |
11.03 |
-7.57 |
-0.72 |
0 |
|
|
43151 |
10318924 |
1 |
N4O5C20H26 |
A4B5C20D26 |
-139.02 |
6.29 |
-9.4 |
-0.55 |
0 |
|
|
43152 |
10318931 |
1 |
O6C23H30 |
A6B23C30 |
-251.43 |
5.72 |
-9.85 |
-0.43 |
0 |
|
|
43153 |
10318938 |
1 |
FON2C26H27 |
ABC2D26E27 |
-15.85 |
4.29 |
-8.69 |
-0.52 |
0 |
|
|
43154 |
10318944 |
1 |
ON4C25H30 |
AB4C25D30 |
62.35 |
4.88 |
-8.94 |
-0.53 |
0 |
|
|
43155 |
10318951 |
1 |
O4C25H38 |
A4B25C38 |
-195.72 |
4.7 |
-9.28 |
-1.12 |
0 |
|
|
43156 |
10318952 |
1 |
S2O5C19H30 |
A2B5C19D30 |
-238.94 |
4.8 |
-8.82 |
-0.6 |
0 |