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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
54080 |
14720011 |
1 |
F2N3O3C19H27 |
A2B3C3D19E27 |
-236.69 |
5.61 |
-9.7 |
-0.1 |
0 |
|
|
54081 |
14720012 |
2 |
FN2O3C16H25 |
AB2C3D16E25 |
-420.18 |
3.96 |
-9.32 |
-0.53 |
0 |
|
|
54082 |
14720013 |
2 |
FN2O3C16H25 |
AB2C3D16E25 |
-421.16 |
5.66 |
-9.6 |
-0.29 |
0 |
|
|
54083 |
14720016 |
1 |
F2N5O8C25H39 |
A2B5C8D25E39 |
-499.18 |
4.97 |
-9.84 |
-0.54 |
0 |
|
|
54084 |
14720025 |
1 |
F2N3O5C25H39 |
A2B3C5D25E39 |
-363.3 |
2.85 |
-9.82 |
-0.22 |
0 |
|
|
54085 |
14720027 |
1 |
F2N3O3C17H33 |
A2B3C3D17E33 |
-299.33 |
4.01 |
-9.69 |
0.8 |
0 |
|
|
54086 |
14720034 |
1 |
F2N2O4C23H28 |
A2B2C4D23E28 |
-264.16 |
5.98 |
-9.63 |
-0.3 |
0 |
|
|
54087 |
14720035 |
1 |
F2N2O3C20H22 |
A2B2C3D20E22 |
-205.41 |
5.36 |
-9.68 |
-0.45 |
0 |
|
|
54088 |
14720046 |
1 |
F2N3O3C21H33 |
A2B3C3D21E33 |
-261.09 |
2.74 |
-9.42 |
0.16 |
0 |
|
|
54089 |
14720051 |
1 |
F2N7O9C53H65 |
A2B7C9D53E65 |
-440.53 |
8.51 |
-8.68 |
-0.54 |
0 |
|
|
54090 |
14720052 |
1 |
F2N7O9C53H65 |
A2B7C9D53E65 |
-456.38 |
4.08 |
-8.76 |
-0.39 |
0 |
|
|
54091 |
14720064 |
1 |
F2N5O7C43H57 |
A2B5C7D43E57 |
-407.82 |
2.33 |
-9.65 |
-0.36 |
0 |
|
|
54092 |
14720065 |
1 |
F2N7O9C46H65 |
A2B7C9D46E65 |
-524.62 |
8.1 |
-9.22 |
-0.4 |
0 |
|
|
54093 |
14720087 |
1 |
F2N3O5C24H37 |
A2B3C5D24E37 |
-374.5 |
3.23 |
-9.74 |
-0.06 |
0 |
|
|
54094 |
14720088 |
1 |
F2N3O5C24H37 |
A2B3C5D24E37 |
-364.34 |
5.04 |
-9.54 |
0.15 |
0 |
|
|
54095 |
14720093 |
1 |
F2N4O6C31H50 |
A2B4C6D31E50 |
-422.93 |
1.92 |
-9.55 |
0.16 |
0 |
|
|
54096 |
14720110 |
1 |
F2N5O8C25H41 |
A2B5C8D25E41 |
-510.25 |
5.27 |
-9.64 |
0.1 |
0 |
|
|
54097 |
14720114 |
1 |
F2N2O3C13H26 |
A2B2C3D13E26 |
-284.55 |
1.19 |
-9.7 |
0.48 |
0 |
|
|
54098 |
14720118 |
1 |
F2N2O5C28H28 |
A2B2C5D28E28 |
-258.45 |
4.98 |
-9.58 |
-0.66 |
0 |
|
|
54099 |
14720119 |
1 |
F2N2O5C28H28 |
A2B2C5D28E28 |
-260.56 |
3.5 |
-9.57 |
-0.34 |
0 |
|
|
54100 |
14720136 |
1 |
F2N2O4C31H44 |
A2B2C4D31E44 |
-300.29 |
3.71 |
-9.48 |
-0.05 |
0 |
|
|
54101 |
14720143 |
1 |
F2N3O5C19H21 |
A2B3C5D19E21 |
-202.5 |
2.94 |
-9.74 |
-1.51 |
0 |
|
|
54102 |
14720147 |
1 |
F2N3O4C21H25 |
A2B3C4D21E25 |
-251.31 |
1.58 |
-8.55 |
-0.02 |
0 |
|
|
54103 |
14720149 |
1 |
F2N3O6C26H33 |
A2B3C6D26E33 |
-368.62 |
2.83 |
-8.84 |
-0.25 |
0 |
|
|
54104 |
14720158 |
2 |
FN2O3C21H31 |
AB2C3D21E31 |
-415.58 |
8.9 |
-9.32 |
-0.41 |
0 |
|
|
54105 |
14720164 |
1 |
F2N5O7C31H39 |
A2B5C7D31E39 |
-379.12 |
6.77 |
-9.41 |
-0.62 |
0 |
|
|
54106 |
14720175 |
1 |
NF2O4C17H23 |
AB2C4D17E23 |
-277.39 |
4.53 |
-9.69 |
-0.12 |
0 |
|
|
54107 |
14720184 |
2 |
NO3C9H9 |
AB3C9D9 |
-136.61 |
5.63 |
-9.88 |
-1.46 |
0 |
|
|
54108 |
14720187 |
1 |
N3O8C22H25 |
A3B8C22D25 |
-237.55 |
6.75 |
-9.75 |
-1.37 |
0 |
|
|
54109 |
14720189 |
1 |
N3O8C23H27 |
A3B8C23D27 |
-233.85 |
5.65 |
-9.74 |
-1.51 |
0 |
|
|
54110 |
14720196 |
1 |
F2N4O9C29H38 |
A2B4C9D29E38 |
-415.77 |
5.46 |
-9.84 |
-1.44 |
0 |
|
|
54111 |
14720199 |
1 |
F2N4O7C24H30 |
A2B4C7D24E30 |
-300.88 |
7.9 |
-9.68 |
-1.58 |
0 |
|
|
54112 |
14720219 |
1 |
ClN2O7H13C15 |
AB2C7D13E15 |
-200.43 |
5.89 |
-9.29 |
-1.31 |
0 |
|
|
54113 |
14720231 |
1 |
N2F3O6H9C14 |
A2B3C6D9E14 |
-307.2 |
6.89 |
-9.44 |
-1.98 |
0 |
|
|
54114 |
14720270 |
1 |
O2S2N3C20H25 |
A2B2C3D20E25 |
6.83 |
10.43 |
-7.95 |
-1.58 |
0 |
|
|
54115 |
14720279 |
1 |
ClSN2O2H17C19 |
ABC2D2E17F19 |
-12.45 |
6.58 |
-9.23 |
-0.64 |
0 |
|
|
54116 |
14720281 |
1 |
ClSN2O2C15H17 |
ABC2D2E15F17 |
-41.69 |
4.8 |
-9.17 |
-0.52 |
0 |
|
|
54117 |
14720285 |
1 |
N3H11C13 |
A3B11C13 |
88.34 |
6.62 |
-8.84 |
-0.68 |
0 |
|
|
54118 |
14720288 |
1 |
FN2C16H19 |
AB2C16D19 |
-10.1 |
4.01 |
-8.51 |
-0.36 |
0 |
|
|
54119 |
14720290 |
1 |
ClSN2O2C14H15 |
ABC2D2E14F15 |
-37.41 |
2.61 |
-9.4 |
-0.51 |
0 |
|
|
54120 |
14720291 |
1 |
FSN2O2C14H15 |
ABC2D2E14F15 |
-75.34 |
6.31 |
-9.46 |
-0.2 |
0 |
|
|
54121 |
14720312 |
1 |
N2C17H30 |
A2B17C30 |
-17.47 |
1.35 |
-9.05 |
-0.24 |
0 |
|
|
54122 |
14720314 |
1 |
ClSN2O2C23H33 |
ABC2D2E23F33 |
-79.88 |
3.89 |
-9.68 |
-1.01 |
0 |
|
|
54123 |
14720315 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-69.33 |
5.97 |
-9.5 |
-0.28 |
0 |
|
|
54124 |
14720319 |
1 |
SN2C13H14 |
AB2C13D14 |
56.75 |
2.65 |
-8.5 |
-0.48 |
0 |
|
|
54125 |
14720323 |
1 |
N2C13H14 |
A2B13C14 |
50.79 |
0.85 |
-8.35 |
-0.35 |
0 |
|
|
54126 |
14720324 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-32.11 |
5.48 |
-9.5 |
-0.24 |
0 |
|
|
54127 |
14720325 |
2 |
FNH5C6 |
ABC5D6 |
-33.6 |
2.17 |
-8.82 |
-0.54 |
0 |
|
|
54128 |
14720328 |
1 |
FSN2O2C14H15 |
ABC2D2E14F15 |
-73.81 |
3.98 |
-9.88 |
-0.46 |
0 |
|
|
54129 |
14720331 |
1 |
SF2N2O2C14H14 |
AB2C2D2E14F14 |
-119.13 |
1.32 |
-9.86 |
-0.62 |
0 |
|
|
54130 |
14720336 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-34.9 |
5.58 |
-9.14 |
-0.14 |
0 |
|
|
54131 |
14720337 |
1 |
O2N3H11C12 |
A2B3C11D12 |
49.05 |
8.79 |
-9.15 |
-0.96 |
0 |
|
|
54132 |
14720341 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-25.02 |
4.23 |
-9.14 |
-0.27 |
0 |
|
|
54133 |
14720342 |
2 |
NOC7H8 |
ABC7D8 |
-20.77 |
3.73 |
-8.41 |
-0.04 |
0 |
|
|
54134 |
14720346 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-42.81 |
6.65 |
-9.09 |
-0.18 |
0 |
|
|
54135 |
14720359 |
1 |
OSCl2N2F4H6C14 |
ABC2D2E4F6G14 |
-177.2 |
6.69 |
-9.17 |
-1.4 |
0 |
|
|
54136 |
14720365 |
1 |
SiN4O7C26H56 |
AB4C7D26E56 |
-444.69 |
7.46 |
-8.92 |
0.56 |
0 |
|
|
54137 |
14720378 |
1 |
NO4C15H17 |
AB4C15D17 |
-136.99 |
4.75 |
-9.77 |
-0.47 |
0 |
|
|
54138 |
14720379 |
1 |
NO4C15H19 |
AB4C15D19 |
-160.09 |
5.18 |
-9.61 |
-0.29 |
0 |
|
|
54139 |
14720380 |
1 |
NO4C15H19 |
AB4C15D19 |
-160.41 |
6.81 |
-9.63 |
-0.27 |
0 |
|
|
54140 |
14720381 |
1 |
NO4C15H19 |
AB4C15D19 |
-160.4 |
3.95 |
-9.67 |
-0.27 |
0 |
|
|
54141 |
14720388 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-172.3 |
2.26 |
-8.7 |
-0.47 |
0 |
|
|
54142 |
14720390 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-160.22 |
8.28 |
-8.95 |
-0.44 |
0 |
|
|
54143 |
14720391 |
1 |
N3O4C26H35 |
A3B4C26D35 |
-180.39 |
2.44 |
-8.83 |
-0.47 |
0 |
|
|
54144 |
14720393 |
1 |
SN5C9H19 |
AB5C9D19 |
24.06 |
1.25 |
-8.67 |
-0.12 |
0 |
|
|
54145 |
14720394 |
1 |
SN3O8C12H17 |
AB3C8D12E17 |
-355.43 |
10.59 |
-10.53 |
-1.3 |
0 |
|
|
54146 |
14720396 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-104.8 |
4.77 |
-9.33 |
-0.67 |
0 |
|
|
54147 |
14720397 |
1 |
SN2O6C18H28 |
AB2C6D18E28 |
-267.91 |
7.86 |
-9.94 |
-0.6 |
0 |
|
|
54148 |
14720399 |
1 |
SN5O10C42H57 |
AB5C10D42E57 |
-413.25 |
8.37 |
-9.57 |
-0.54 |
0 |
|
|
54149 |
14720400 |
1 |
SN5O10C42H57 |
AB5C10D42E57 |
-335.05 |
6.45 |
-8.65 |
-0.91 |
0 |
|
|
54150 |
14720401 |
1 |
SN5O9C41H57 |
AB5C9D41E57 |
-387.58 |
6.91 |
-9.4 |
-0.58 |
0 |
|
|
54151 |
14720402 |
1 |
SN5O9C41H57 |
AB5C9D41E57 |
-378.11 |
4.35 |
-9.28 |
-0.37 |
0 |
|
|
54152 |
14720409 |
1 |
ClSN5O7C30H44 |
ABC5D7E30F44 |
-301.42 |
5.97 |
-9.65 |
-0.44 |
0 |
|
|
54153 |
14720410 |
1 |
SN5O7C30H43 |
AB5C7D30E43 |
-274.69 |
5.06 |
-8.84 |
-0.54 |
0 |
|
|
54154 |
14720411 |
1 |
SN5O6C30H43 |
AB5C6D30E43 |
-240.67 |
2.95 |
-9.63 |
-0.53 |
0 |
|
|
54155 |
14724606 |
1 |
SO13N14C59H80 |
AB13C14D59E80 |
-493.02 |
6.4 |
-8.88 |
-0.89 |
0 |
|
|
54156 |
14728533 |
1 |
SO4H18C20 |
AB4C18D20 |
-74.41 |
7.45 |
-8.74 |
-0.8 |
0 |
|
|
54157 |
14728810 |
1 |
NO4C25H33 |
AB4C25D33 |
-124.45 |
5.24 |
-8.51 |
0.21 |
0 |
|
|
54158 |
14728866 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-176.4 |
4.84 |
-9.57 |
0.66 |
0 |
|
|
54159 |
14729672 |
1 |
NO17C27H39 |
AB17C27D39 |
-771.14 |
5.97 |
-10.04 |
0.29 |
0 |
|
|
54160 |
14730449 |
1 |
N5O6C13H15 |
A5B6C13D15 |
-132.52 |
5.86 |
-10.06 |
-1.24 |
0 |
|
|
54161 |
14730484 |
1 |
PN5O10C28H38 |
AB5C10D28E38 |
-474.03 |
4.88 |
-9.57 |
-0.22 |
0 |
|
|
54162 |
14730560 |
1 |
SN6O6C33H34 |
AB6C6D33E34 |
-106.99 |
14.01 |
-8.57 |
-1.34 |
0 |
|
|
54163 |
14732913 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-73.35 |
3.35 |
-9.35 |
0.26 |
0 |
|
|
54164 |
14733174 |
1 |
OC12H16 |
AB12C16 |
-26.17 |
1.63 |
-9.32 |
0.42 |
0 |
|
|
54165 |
14735501 |
1 |
ClNO2C18H28 |
ABC2D18E28 |
-111.56 |
3.67 |
-10.41 |
-0.2 |
0 |
|
|
54166 |
14735567 |
2 |
BrC4H6 |
AB4C6 |
9.48 |
2.55 |
-10.21 |
-0.57 |
0 |
|
|
54167 |
14741441 |
1 |
O3N5H21C24 |
A3B5C21D24 |
1.57 |
7.78 |
-8.42 |
-1.29 |
0 |
|
|
54168 |
14742044 |
1 |
SiO2C9H20 |
AB2C9D20 |
-180.8 |
2.71 |
-9.31 |
1.1 |
0 |
|
|
54169 |
14742085 |
1 |
PO4C5F5H6 |
AB4C5D5E6 |
-465.83 |
3.39 |
-10.88 |
-0.87 |
0 |
|
|
54170 |
14742178 |
1 |
NO5C15H21 |
AB5C15D21 |
-159.83 |
3.89 |
-9.16 |
-0.39 |
0 |
|
|
54171 |
14742234 |
1 |
SO3C12H16 |
AB3C12D16 |
-134.5 |
1.87 |
-8.54 |
-0.64 |
0 |
|
|
54172 |
14742608 |
1 |
ON4C7H12 |
AB4C7D12 |
20.52 |
2.52 |
-9.37 |
-0.44 |
0 |
|
|
54173 |
14742700 |
1 |
NO3C21H21 |
AB3C21D21 |
-69.27 |
5.59 |
-8.89 |
-0.81 |
0 |
|
|
54174 |
14742762 |
1 |
O3C16H18 |
A3B16C18 |
-109.65 |
4.13 |
-8.64 |
-0.76 |
0 |
|
|
54175 |
14742771 |
1 |
O5C17H24 |
A5B17C24 |
-202.46 |
3.82 |
-9.1 |
-0.05 |
0 |
|
|
54176 |
14743087 |
1 |
BrON2H21C24 |
ABC2D21E24 |
89.16 |
4.01 |
-9.18 |
-0.44 |
0 |
|
|
54177 |
14743456 |
1 |
NO5C25H27 |
AB5C25D27 |
-106.11 |
3.9 |
-8.26 |
-0.04 |
0 |
|
|
54178 |
14743457 |
1 |
NO9C27H29 |
AB9C27D29 |
-267.6 |
1.43 |
-8.74 |
-1.43 |
0 |
|
|
54179 |
14743551 |
2 |
C27H46 |
A27B46 |
-137.25 |
1.03 |
-8.6 |
1.35 |
0 |