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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
131107 |
51156987 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-165.96 |
3.52 |
-9.58 |
0.1 |
0 |
|
|
131108 |
51157007 |
1 |
ClN2O4C18H25 |
AB2C4D18E25 |
-155.74 |
3.88 |
-8.72 |
-0.84 |
0 |
|
|
131109 |
51157271 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-81.51 |
3.84 |
-8.87 |
-0.62 |
0 |
|
|
131110 |
51157272 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-146.58 |
3.55 |
-8.92 |
0.55 |
0 |
|
|
131111 |
51157343 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-112.97 |
5.64 |
-9.16 |
-0.12 |
0 |
|
|
131112 |
51157344 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-85.67 |
8.69 |
-9.18 |
-0.39 |
0 |
|
|
131113 |
51157669 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-76.52 |
9.04 |
-9.25 |
-0.68 |
0 |
|
|
131114 |
51157670 |
1 |
SCl2N2O3H14C15 |
AB2C2D3E14F15 |
-81.66 |
7.29 |
-9.34 |
-1.19 |
0 |
|
|
131115 |
51157671 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-116.72 |
8.25 |
-9.17 |
-0.6 |
0 |
|
|
131116 |
51157788 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-71.82 |
5.16 |
-8.38 |
-0.02 |
0 |
|
|
131117 |
51158267 |
1 |
NSO3C18H21 |
ABC3D18E21 |
-74.57 |
3.17 |
-8.67 |
-0.28 |
0 |
|
|
131118 |
51159054 |
1 |
SN2O3C15H24 |
AB2C3D15E24 |
-137.54 |
5.54 |
-9.68 |
-0.36 |
0 |
|
|
131119 |
51159061 |
1 |
ClSN2O2C16H23 |
ABC2D2E16F23 |
-96.99 |
4.79 |
-8.66 |
-0.79 |
0 |
|
|
131120 |
51159271 |
1 |
BrN2O3C14H17 |
AB2C3D14E17 |
-106.86 |
4.76 |
-9.43 |
-0.4 |
0 |
|
|
131121 |
51159608 |
1 |
O2N3H15C16 |
A2B3C15D16 |
-5.45 |
4.03 |
-8.15 |
-0.96 |
0 |
|
|
131122 |
51159609 |
2 |
NO2C11H14 |
AB2C11D14 |
-162.39 |
4.85 |
-8.3 |
-0.23 |
0 |
|
|
131123 |
51159610 |
1 |
NSO4C20H21 |
ABC4D20E21 |
-131.86 |
4.66 |
-8.51 |
-0.84 |
0 |
|
|
131124 |
51159611 |
1 |
FSN3O3C19H22 |
ABC3D3E19F22 |
-129.05 |
4.42 |
-8.54 |
-0.51 |
0 |
|
|
131125 |
51159612 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-155.94 |
3.31 |
-9.21 |
-0.18 |
0 |
|
|
131126 |
51159700 |
1 |
NO5C19H23 |
AB5C19D23 |
-156.4 |
4.13 |
-8.54 |
-0.22 |
0 |
|
|
131127 |
51160132 |
1 |
FN3O4C17H18 |
AB3C4D17E18 |
-86.68 |
3.01 |
-8.61 |
-1.21 |
0 |
|
|
131128 |
51160133 |
1 |
SN3O3H15C18 |
AB3C3D15E18 |
-29.56 |
4.74 |
-9.16 |
-1.42 |
0 |
|
|
131129 |
51160866 |
1 |
F2N2O3C18H18 |
A2B2C3D18E18 |
-181.33 |
1.26 |
-9.52 |
-0.61 |
0 |
|
|
131130 |
51160905 |
1 |
BrSN2O3C14H19 |
ABC2D3E14F19 |
-113.64 |
7.22 |
-9.31 |
-1.19 |
0 |
|
|
131131 |
51160932 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-108.29 |
8.55 |
-9.54 |
-0.88 |
0 |
|
|
131132 |
51160941 |
1 |
SN2O4C19H22 |
AB2C4D19E22 |
-121.27 |
4.73 |
-8.78 |
-0.65 |
0 |
|
|
131133 |
51160942 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-159.08 |
3.02 |
-8.57 |
-0.2 |
0 |
|
|
131134 |
51161255 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-53.68 |
1.7 |
-9.01 |
-0.85 |
0 |
|
|
131135 |
51161504 |
1 |
ClSN2O4C13H17 |
ABC2D4E13F17 |
-137.01 |
5.59 |
-9.27 |
-0.99 |
0 |
|
|
131136 |
51161505 |
1 |
ClSN2O3C16H19 |
ABC2D3E16F19 |
-84.99 |
8.66 |
-8.93 |
-0.87 |
0 |
|
|
131137 |
51161506 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-80.2 |
2.08 |
-8.45 |
-0.24 |
0 |
|
|
131138 |
51161507 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-61.27 |
0.6 |
-8.4 |
-0.59 |
0 |
|
|
131139 |
51161839 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-164.48 |
4.48 |
-9.15 |
-0.15 |
0 |
|
|
131140 |
51162100 |
1 |
SN3O3C14H15 |
AB3C3D14E15 |
-65.34 |
9.29 |
-8.9 |
-1.05 |
0 |
|
|
131141 |
51162101 |
1 |
N4O4H14C15 |
A4B4C14D15 |
-34.46 |
7.98 |
-9.13 |
-1.89 |
0 |
|
|
131142 |
51162102 |
1 |
BrN2O2H13C14 |
AB2C2D13E14 |
-24.88 |
4.54 |
-9.31 |
-0.54 |
0 |
|
|
131143 |
51162192 |
1 |
O3N4C13H20 |
A3B4C13D20 |
-87.64 |
4.77 |
-8.76 |
-1.05 |
0 |
|
|
131144 |
51162942 |
1 |
SN2O3C12H18 |
AB2C3D12E18 |
-111.8 |
2.17 |
-9.5 |
-0.61 |
0 |
|
|
131145 |
51163063 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-80.34 |
7.49 |
-9.26 |
-1.1 |
0 |
|
|
131146 |
51163212 |
1 |
FSN3O3H16C18 |
ABC3D3E16F18 |
-112.19 |
1.01 |
-9.01 |
-1.09 |
0 |
|
|
131147 |
51163526 |
1 |
ClN2O3C20H23 |
AB2C3D20E23 |
-113.9 |
4.85 |
-9.3 |
-0.37 |
0 |
|
|
131148 |
51164121 |
1 |
SN3O3H19C20 |
AB3C3D19E20 |
-41.1 |
5.76 |
-8.78 |
-0.96 |
0 |
|
|
131149 |
51164707 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-60.24 |
3.7 |
-8.89 |
-1.1 |
0 |
|
|
131150 |
51165401 |
1 |
SN2O4C19H26 |
AB2C4D19E26 |
-164.24 |
10.11 |
-9.56 |
-0.81 |
0 |
|
|
131151 |
51165651 |
1 |
SN3O4C16H21 |
AB3C4D16E21 |
-110.17 |
5.56 |
-9.92 |
-1.0 |
0 |
|
|
131152 |
51165652 |
2 |
NOC9H10 |
ABC9D10 |
-41.77 |
5.16 |
-9.22 |
-0.82 |
0 |
|
|
131153 |
51166377 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-77.75 |
2.26 |
-8.96 |
-0.18 |
0 |
|
|
131154 |
51166505 |
1 |
ClN2O4C16H19 |
AB2C4D16E19 |
-165.67 |
2.02 |
-9.6 |
-0.54 |
0 |
|
|
131155 |
51166813 |
1 |
NO4C21H23 |
AB4C21D23 |
-130.99 |
2.45 |
-8.78 |
-0.33 |
0 |
|
|
131156 |
51166943 |
1 |
NO2C18H23 |
AB2C18D23 |
-60.38 |
3.16 |
-8.41 |
0.31 |
0 |
|
|
131157 |
51166944 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-119.86 |
1.73 |
-8.9 |
0.16 |
0 |
|
|
131158 |
51166945 |
1 |
O3N4C17H18 |
A3B4C17D18 |
39.5 |
2.72 |
-8.98 |
-1.5 |
0 |
|
|
131159 |
51166946 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-85.82 |
2.25 |
-8.98 |
0.25 |
0 |
|
|
131160 |
51166947 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-85.38 |
2.2 |
-8.93 |
0.27 |
0 |
|
|
131161 |
51167096 |
3 |
NOH5C7 |
ABC5D7 |
37.56 |
2.29 |
-9.02 |
-1.33 |
0 |
|
|
131162 |
51167279 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
-52.12 |
2.83 |
-8.35 |
-0.84 |
0 |
|
|
131163 |
51167386 |
1 |
ClFN3O3C17H17 |
ABC3D3E17F17 |
-58.72 |
7.17 |
-9.54 |
-1.58 |
0 |
|
|
131164 |
51167387 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-119.79 |
1.7 |
-8.33 |
-0.11 |
0 |
|
|
131165 |
51167617 |
1 |
FO2N4C22H25 |
AB2C4D22E25 |
-61.13 |
7.99 |
-8.58 |
-0.53 |
0 |
|
|
131166 |
51167828 |
1 |
ClNO3C16H18 |
ABC3D16E18 |
-106.09 |
3.85 |
-9.28 |
-1.23 |
0 |
|
|
131167 |
51168327 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-38.69 |
4.58 |
-9.08 |
-0.84 |
0 |
|
|
131168 |
51168328 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-79.03 |
4.09 |
-8.72 |
-0.93 |
0 |
|
|
131169 |
51168403 |
4 |
NOC5H6 |
ABC5D6 |
-41.3 |
8.69 |
-8.48 |
-1.37 |
0 |
|
|
131170 |
51169441 |
1 |
SCl2N2O3C16H16 |
AB2C2D3E16F16 |
-92.78 |
7.68 |
-9.38 |
-0.77 |
0 |
|
|
131171 |
51169443 |
1 |
SN2O5C19H22 |
AB2C5D19E22 |
-160.63 |
5.22 |
-8.68 |
-1.29 |
0 |
|
|
131172 |
51169444 |
1 |
SN2O4C18H22 |
AB2C4D18E22 |
-126.26 |
7.7 |
-8.49 |
-0.83 |
0 |
|
|
131173 |
51169445 |
1 |
FSN2O3C20H23 |
ABC2D3E20F23 |
-97.99 |
3.83 |
-9.04 |
-0.77 |
0 |
|
|
131174 |
51169446 |
1 |
N2O2S2F3C15H17 |
A2B2C2D3E15F17 |
-178.98 |
5.35 |
-9.05 |
-1.09 |
0 |
|
|
131175 |
51169447 |
1 |
N2S2O4C17H22 |
A2B2C4D17E22 |
-108.34 |
4.97 |
-9.11 |
-1.24 |
0 |
|
|
131176 |
51169448 |
1 |
S2N3O4C17H23 |
A2B3C4D17E23 |
-109.39 |
10.35 |
-8.89 |
-0.63 |
0 |
|
|
131177 |
51169449 |
1 |
ClFN2O2S2C14H16 |
ABC2D2E2F14G16 |
-77.1 |
4.02 |
-8.94 |
-1.09 |
0 |
|
|
131178 |
51169563 |
1 |
SN2O4C20H26 |
AB2C4D20E26 |
-142.5 |
5.58 |
-8.84 |
-0.6 |
0 |
|
|
131179 |
51169584 |
1 |
NSO2F3H12C14 |
ABC2D3E12F14 |
-175.49 |
6.18 |
-9.99 |
-0.97 |
0 |
|
|
131180 |
51169844 |
1 |
NO2S2H15C16 |
AB2C2D15E16 |
-11.39 |
5.69 |
-9.2 |
-1.03 |
0 |
|
|
131181 |
51169849 |
1 |
NO2S2C14H17 |
AB2C2D14E17 |
-48.49 |
5.65 |
-9.18 |
-0.46 |
0 |
|
|
131182 |
51169850 |
1 |
NO2S2C14H17 |
AB2C2D14E17 |
-50.87 |
5.69 |
-8.9 |
-0.32 |
0 |
|
|
131183 |
51169851 |
1 |
N2S2O5C13H14 |
A2B2C5D13E14 |
-73.6 |
5.59 |
-9.18 |
-1.41 |
0 |
|
|
131184 |
51169852 |
1 |
NCl2O2S2H11C12 |
AB2C2D2E11F12 |
-36.44 |
5.82 |
-9.16 |
-1.09 |
0 |
|
|
131185 |
51170928 |
1 |
N2O3C22H22 |
A2B3C22D22 |
-75.25 |
4.13 |
-9.08 |
-1.66 |
0 |
|
|
131186 |
51171076 |
2 |
NO2C10H13 |
AB2C10D13 |
-121.16 |
3.74 |
-8.59 |
-0.14 |
0 |
|
|
131187 |
51171677 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-127.97 |
3.88 |
-8.89 |
-0.5 |
0 |
|
|
131188 |
51171678 |
1 |
ON2C19H24 |
AB2C19D24 |
-5.84 |
3.6 |
-8.82 |
0.34 |
0 |
|
|
131189 |
51172200 |
2 |
NO2C11H14 |
AB2C11D14 |
-118.08 |
4.78 |
-8.24 |
0.24 |
0 |
|
|
131190 |
51172247 |
1 |
ClSO3N4C17H21 |
ABC3D4E17F21 |
-58.28 |
3.04 |
-8.89 |
-0.91 |
0 |
|
|
131191 |
51172303 |
1 |
S2N3O3C18H23 |
A2B3C3D18E23 |
-69.88 |
4.01 |
-9.12 |
-0.49 |
0 |
|
|
131192 |
51172637 |
1 |
ON5C13H17 |
AB5C13D17 |
28.27 |
6.5 |
-9.42 |
-1.14 |
0 |
|
|
131193 |
51172638 |
1 |
ON5C14H19 |
AB5C14D19 |
30.38 |
6.28 |
-9.3 |
-1.13 |
0 |
|
|
131194 |
51172639 |
1 |
ClSO2N4H15C17 |
ABC2D4E15F17 |
-24.01 |
4.17 |
-8.95 |
-0.91 |
0 |
|
|
131195 |
51173195 |
1 |
N3O3H9C16 |
A3B3C9D16 |
74.69 |
9.2 |
-9.7 |
-1.93 |
0 |
|
|
131196 |
51173196 |
1 |
SO3N4C19H20 |
AB3C4D19E20 |
-15.91 |
7.7 |
-9.52 |
-1.02 |
0 |
|
|
131197 |
51173518 |
1 |
SO2N6H16C19 |
AB2C6D16E19 |
91.71 |
7.21 |
-9.35 |
-1.08 |
0 |
|
|
131198 |
51173522 |
1 |
OSN6H18C20 |
ABC6D18E20 |
114.69 |
0.78 |
-9.18 |
-0.97 |
0 |
|
|
131199 |
51173523 |
1 |
ClON6C16H21 |
ABC6D16E21 |
45.19 |
4.07 |
-8.97 |
-1.02 |
0 |
|
|
131200 |
51173826 |
1 |
FON3C16H22 |
ABC3D16E22 |
-57.12 |
6.54 |
-9.37 |
-0.02 |
0 |
|
|
131201 |
51173882 |
1 |
OSN4H16C18 |
ABC4D16E18 |
50.91 |
4.69 |
-8.63 |
-1.01 |
0 |
|
|
131202 |
51173958 |
1 |
SO2N5H19C20 |
AB2C5D19E20 |
79.61 |
7.41 |
-9.1 |
-0.75 |
0 |
|
|
131203 |
51174014 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-2.69 |
5.74 |
-8.57 |
-1.14 |
0 |
|
|
131204 |
51174015 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-58.89 |
5.44 |
-8.61 |
-0.78 |
0 |
|
|
131205 |
51174213 |
2 |
NOSC10H10 |
ABCD10E10 |
-11.87 |
5.25 |
-8.84 |
-0.7 |
0 |
|
|
131206 |
51175185 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-79.55 |
3.81 |
-8.88 |
-0.79 |
0 |