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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
50616 |
12013173 |
1 |
SO4N6C23H32 |
AB4C6D23E32 |
-80.64 |
3.84 |
-8.65 |
-0.98 |
0 |
|
|
50617 |
12013175 |
1 |
SO4N6C22H30 |
AB4C6D22E30 |
-76.97 |
5.15 |
-8.98 |
-0.92 |
0 |
|
|
50618 |
12013176 |
1 |
SO4N6C23H32 |
AB4C6D23E32 |
-79.33 |
9.26 |
-8.59 |
-1.33 |
0 |
|
|
50619 |
12013177 |
1 |
GeO4C14H22 |
AB4C14D22 |
-128.0 |
2.76 |
-10.08 |
0.34 |
0 |
|
|
50620 |
12013180 |
1 |
SnSi2O3C32H64 |
AB2C3D32E64 |
-295.29 |
2.91 |
-8.9 |
-0.18 |
0 |
|
|
50621 |
12013181 |
1 |
Si2O3C20H38 |
A2B3C20D38 |
-254.57 |
3.56 |
-8.99 |
-0.41 |
0 |
|
|
50623 |
12013183 |
1 |
SnSi2O3C23H46 |
AB2C3D23E46 |
-254.55 |
2.88 |
-8.91 |
-0.16 |
0 |
|
|
50624 |
12013184 |
1 |
SnSi2O3C38H52 |
AB2C3D38E52 |
-160.26 |
3.71 |
-8.84 |
-0.3 |
0 |
|
|
50625 |
12013185 |
1 |
GeOSiC16H32 |
ABCD16E32 |
-78.22 |
2.05 |
-8.67 |
1.14 |
0 |
|
|
50626 |
12013186 |
1 |
GeSiO2C17H32 |
ABC2D17E32 |
-159.31 |
3.41 |
-8.93 |
-0.09 |
0 |
|
|
50627 |
12013187 |
1 |
ISiO2C14H23 |
ABC2D14E23 |
-123.87 |
4.29 |
-8.94 |
-0.96 |
0 |
|
|
50628 |
12013188 |
1 |
GeOSiC18H36 |
ABCD18E36 |
-87.36 |
2.08 |
-8.64 |
1.14 |
0 |
|
|
50629 |
12013189 |
1 |
GeSiO2C19H36 |
ABC2D19E36 |
-169.21 |
3.48 |
-8.92 |
-0.05 |
0 |
|
|
50630 |
12013190 |
1 |
GeO3C15H24 |
AB3C15D24 |
-151.28 |
4.35 |
-9.73 |
-0.18 |
0 |
|
|
50631 |
12013191 |
1 |
ISiO2C16H27 |
ABC2D16E27 |
-134.98 |
4.47 |
-8.96 |
-0.91 |
0 |
|
|
50632 |
12013192 |
1 |
IO3C12H15 |
AB3C12D15 |
-112.94 |
5.09 |
-9.68 |
-0.98 |
0 |
|
|
50633 |
12013193 |
1 |
GeO4C15H24 |
AB4C15D24 |
-131.29 |
2.82 |
-10.02 |
0.55 |
0 |
|
|
50634 |
12013194 |
1 |
GeO5C16H24 |
AB5C16D24 |
-224.04 |
3.72 |
-9.78 |
-0.09 |
0 |
|
|
50635 |
12013195 |
1 |
IO5C13H15 |
AB5C13D15 |
-187.65 |
5.33 |
-9.55 |
-0.86 |
0 |
|
|
50636 |
12013197 |
1 |
GeSiO2C18H34 |
ABC2D18E34 |
-161.64 |
3.92 |
-8.9 |
-0.11 |
0 |
|
|
50637 |
12013198 |
1 |
GeO2C12H20 |
AB2C12D20 |
-99.05 |
5.23 |
-9.65 |
0.0 |
0 |
|
|
50638 |
12013199 |
1 |
ISiO2C15H25 |
ABC2D15E25 |
-134.27 |
4.86 |
-8.89 |
-0.9 |
0 |
|
|
50639 |
12013201 |
1 |
GeO2C13H22 |
AB2C13D22 |
-103.59 |
2.71 |
-9.79 |
-0.15 |
0 |
|
|
50640 |
12013202 |
1 |
NSiO6C17H27 |
ABC6D17E27 |
-306.6 |
2.55 |
-9.6 |
0.11 |
0 |
|
|
50641 |
12013203 |
1 |
NO6C14H19 |
AB6C14D19 |
-224.56 |
5.59 |
-9.59 |
-0.52 |
0 |
|
|
50642 |
12013207 |
1 |
SiO4C28H40 |
AB4C28D40 |
-129.94 |
3.49 |
-8.98 |
-0.3 |
0 |
|
|
50643 |
12013208 |
2 |
OC14H14 |
AB14C14 |
5.89 |
3.33 |
-8.91 |
-0.52 |
0 |
|
|
50644 |
12013209 |
1 |
OH24C25 |
AB24C25 |
120.95 |
1.14 |
-8.99 |
-0.23 |
0 |
|
|
50645 |
12013210 |
1 |
OC13H16 |
AB13C16 |
78.8 |
0.46 |
-8.9 |
0.48 |
0 |
|
|
50646 |
12013211 |
2 |
OH12C13 |
AB12C13 |
71.27 |
2.54 |
-8.87 |
-0.72 |
0 |
|
|
50647 |
12013212 |
2 |
OC7H8 |
AB7C8 |
-16.46 |
4.28 |
-9.35 |
-0.93 |
0 |
|
|
50648 |
12013213 |
1 |
S2O3C16H30 |
A2B3C16D30 |
-188.71 |
1.0 |
-8.56 |
0.36 |
0 |
|
|
50649 |
12013214 |
1 |
S2O3C15H28 |
A2B3C15D28 |
-182.14 |
3.15 |
-8.71 |
0.21 |
0 |
|
|
50650 |
12013215 |
2 |
OC4H8 |
AB4C8 |
-121.23 |
4.16 |
-10.1 |
0.42 |
0 |
|
|
50651 |
12013216 |
1 |
SiS2O5C20H40 |
AB2C5D20E40 |
-293.72 |
2.46 |
-8.46 |
0.23 |
0 |
|
|
50652 |
12013217 |
1 |
SiS2O7C29H58 |
AB2C7D29E58 |
-433.61 |
2.94 |
-8.32 |
0.43 |
0 |
|
|
50653 |
12013220 |
1 |
O4C27H52 |
A4B27C52 |
-270.1 |
1.07 |
-9.91 |
0.45 |
0 |
|
|
50654 |
12013221 |
1 |
O5C27H52 |
A5B27C52 |
-328.59 |
5.24 |
-10.43 |
0.46 |
0 |
|
|
50655 |
12013223 |
4 |
OC8H14 |
AB8C14 |
-246.76 |
4.5 |
-9.59 |
0.15 |
0 |
|
|
50656 |
12013224 |
1 |
O3C22H38 |
A3B22C38 |
-162.27 |
1.88 |
-9.5 |
0.23 |
0 |
|
|
50657 |
12013225 |
2 |
SiC7H16 |
AB7C16 |
-81.8 |
0.08 |
-8.62 |
0.75 |
0 |
|
|
50658 |
12013226 |
1 |
Si2C11H26 |
A2B11C26 |
-76.98 |
0.19 |
-8.5 |
0.78 |
0 |
|
|
50659 |
12013227 |
1 |
NSiO3C21H29 |
ABC3D21E29 |
-154.65 |
2.34 |
-9.28 |
0.06 |
0 |
|
|
50660 |
12013228 |
1 |
NSiO3C18H31 |
ABC3D18E31 |
-204.85 |
1.98 |
-9.3 |
0.32 |
0 |
|
|
50661 |
12013229 |
1 |
NSiO3C15H25 |
ABC3D15E25 |
-165.01 |
3.96 |
-9.32 |
0.24 |
0 |
|
|
50662 |
12013232 |
1 |
NO3C26H27 |
AB3C26D27 |
-66.77 |
3.41 |
-9.59 |
-0.38 |
0 |
|
|
50663 |
12013233 |
1 |
NO2C21H23 |
AB2C21D23 |
-4.1 |
2.6 |
-9.38 |
0.03 |
0 |
|
|
50664 |
12013234 |
1 |
OH16C17 |
AB16C17 |
15.27 |
1.37 |
-8.63 |
-0.02 |
0 |
|
|
50665 |
12013235 |
1 |
O2H16C17 |
A2B16C17 |
-6.54 |
3.38 |
-8.84 |
-0.04 |
0 |
|
|
50666 |
12013236 |
2 |
NO2C8H10 |
AB2C8D10 |
-18.28 |
2.75 |
-8.82 |
-0.58 |
0 |
|
|
50667 |
12013238 |
1 |
N2O4C15H16 |
A2B4C15D16 |
32.96 |
2.01 |
-9.04 |
-0.77 |
0 |
|
|
50668 |
12013241 |
1 |
N2O3H14C15 |
A2B3C14D15 |
18.67 |
4.06 |
-8.7 |
-0.38 |
0 |
|
|
50669 |
12013242 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-132.37 |
3.8 |
-9.48 |
0.15 |
0 |
|
|
50670 |
12013244 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-82.21 |
5.38 |
-9.52 |
-0.02 |
0 |
|
|
50671 |
12013245 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-83.3 |
6.01 |
-9.43 |
0.06 |
0 |
|
|
50672 |
12013246 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-113.99 |
6.29 |
-9.04 |
-0.05 |
0 |
|
|
50673 |
12013247 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-141.56 |
5.47 |
-9.15 |
0.28 |
0 |
|
|
50674 |
12013248 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-172.3 |
6.9 |
-8.77 |
0.22 |
0 |
|
|
50675 |
12013249 |
1 |
S2O5H14C16 |
A2B5C14D16 |
-132.95 |
3.04 |
-9.3 |
-1.03 |
0 |
|
|
50676 |
12013251 |
1 |
S2O6H12C17 |
A2B6C12D17 |
-144.51 |
4.23 |
-9.27 |
-1.85 |
0 |
|
|
50677 |
12013253 |
1 |
S2O8H16C21 |
A2B8C16D21 |
-219.83 |
5.47 |
-9.12 |
-1.74 |
0 |
|
|
50678 |
12013254 |
1 |
S2O7H12C17 |
A2B7C12D17 |
-201.48 |
7.24 |
-9.34 |
-1.91 |
0 |
|
|
50679 |
12013255 |
2 |
SO4H8C10 |
AB4C8D10 |
-245.1 |
4.59 |
-9.07 |
-1.72 |
0 |
|
|
50680 |
12013256 |
1 |
SO6H12C14 |
AB6C12D14 |
-168.71 |
1.33 |
-9.81 |
-2.0 |
0 |
|
|
50681 |
12013257 |
1 |
S2O11H20C26 |
A2B11C20D26 |
-319.25 |
4.31 |
-9.29 |
-2.05 |
0 |
|
|
50682 |
12013258 |
1 |
S3O10H24C28 |
A3B10C24D28 |
-305.44 |
1.84 |
-9.35 |
-1.31 |
0 |
|
|
50683 |
12013260 |
1 |
S2O3H8C14 |
A2B3C8D14 |
-8.07 |
6.02 |
-9.1 |
-1.46 |
0 |
|
|
50684 |
12013261 |
1 |
ON2C19H24 |
AB2C19D24 |
-1.76 |
4.94 |
-9.26 |
0.49 |
0 |
|
|
50685 |
12013262 |
1 |
ON2C17H22 |
AB2C17D22 |
-17.11 |
4.86 |
-9.24 |
0.51 |
0 |
|
|
50686 |
12013263 |
1 |
ON2C17H22 |
AB2C17D22 |
-18.05 |
5.19 |
-9.3 |
0.33 |
0 |
|
|
50687 |
12013264 |
1 |
NC17H17 |
AB17C17 |
26.79 |
1.85 |
-8.02 |
0.0 |
0 |
|
|
50688 |
12013265 |
2 |
SN2H7C8 |
AB2C7D8 |
116.0 |
3.24 |
-8.33 |
-1.05 |
0 |
|
|
50689 |
12013267 |
2 |
S2N4H11C15 |
A2B4C11D15 |
246.45 |
6.43 |
-8.22 |
-1.14 |
0 |
|
|
50690 |
12013268 |
1 |
Si7C36H66 |
A7B36C66 |
-173.18 |
5.21 |
-6.79 |
0.29 |
0 |
|
|
50691 |
12013269 |
1 |
SiH7C9 |
AB7C9 |
100.38 |
1.75 |
0.0 |
0.0 |
0 |
|
|
50692 |
12013270 |
1 |
SiH12C15 |
AB12C15 |
89.4 |
3.17 |
-7.43 |
-0.52 |
0 |
|
|
50693 |
12013271 |
2 |
Si7C36H66 |
A7B36C66 |
-321.69 |
3.33 |
-7.18 |
0.89 |
0 |
|
|
50694 |
12013272 |
1 |
N2Si4O5C14H32 |
A2B4C5D14E32 |
-404.02 |
10.38 |
-8.09 |
0.44 |
0 |
|
|
50695 |
12013274 |
1 |
NO2Si2C10H25 |
AB2C2D10E25 |
-199.0 |
2.27 |
-8.96 |
1.5 |
0 |
|
|
50696 |
12013275 |
1 |
NSi2O3C11H25 |
AB2C3D11E25 |
-237.24 |
3.58 |
-9.08 |
0.77 |
0 |
|
|
50697 |
12013276 |
1 |
NSi3O4C14H33 |
AB3C4D14E33 |
-348.79 |
2.45 |
-8.98 |
0.5 |
0 |
|
|
50698 |
12013277 |
1 |
BO2H5F10C16 |
AB2C5D10E16 |
-476.8 |
4.35 |
-10.42 |
-1.72 |
0 |
|
|
50699 |
12013278 |
1 |
BO2H7F10C21 |
AB2C7D10E21 |
-440.58 |
5.77 |
-10.38 |
-1.63 |
0 |
|
|
50700 |
12013279 |
1 |
O2N3P3C4Cl4H10 |
A2B3C3D4E4F10 |
-262.07 |
2.18 |
-10.38 |
-0.6 |
0 |
|
|
50701 |
12013280 |
1 |
Cl3N3O3P3C14H17 |
A3B3C3D3E14F17 |
-256.52 |
4.97 |
-8.82 |
-0.53 |
0 |
|
|
50702 |
12013281 |
1 |
Cl3N3O3P3C14H17 |
A3B3C3D3E14F17 |
-258.09 |
3.64 |
-8.96 |
-0.63 |
0 |
|
|
50703 |
12013282 |
2 |
OC8H13 |
AB8C13 |
-54.54 |
2.47 |
-9.72 |
0.05 |
0 |
|
|
50704 |
12013283 |
2 |
OC11H19 |
AB11C19 |
-14.81 |
2.98 |
-8.58 |
0.55 |
0 |
|
|
50705 |
12013284 |
1 |
PN2O5C20H27 |
AB2C5D20E27 |
-193.28 |
7.0 |
-8.89 |
-0.05 |
0 |
|
|
50706 |
12013285 |
1 |
OS2C8H10 |
AB2C8D10 |
-15.02 |
1.31 |
-8.9 |
-0.19 |
0 |
|
|
50707 |
12013286 |
1 |
SN2O2H14C18 |
AB2C2D14E18 |
49.47 |
5.66 |
-8.31 |
-1.31 |
0 |
|
|
50708 |
12013287 |
1 |
SN2O2H10C12 |
AB2C2D10E12 |
25.66 |
6.31 |
-8.52 |
-1.32 |
0 |
|
|
50709 |
12013288 |
1 |
ClNH10C17 |
ABC10D17 |
200.8 |
2.89 |
-9.19 |
-1.62 |
0 |
|
|
50710 |
12013289 |
2 |
ClNH8C13 |
ABC8D13 |
221.12 |
6.91 |
-8.32 |
-1.74 |
0 |
|
|
50711 |
12013290 |
1 |
SN2O2H14C18 |
AB2C2D14E18 |
73.36 |
6.46 |
-8.24 |
-1.5 |
0 |
|
|
50712 |
12013291 |
1 |
SSiN2O2C15H18 |
ABC2D2E15F18 |
47.55 |
6.08 |
-8.39 |
-1.41 |
0 |
|
|
50713 |
12013294 |
1 |
NSO3H19C20 |
ABC3D19E20 |
-65.96 |
7.73 |
-8.51 |
-0.85 |
0 |
|
|
50714 |
12013295 |
1 |
S2N3O7H13C20 |
A2B3C7D13E20 |
5.16 |
3.4 |
-8.6 |
-2.85 |
0 |
|
|
50715 |
12013297 |
1 |
O3C15H22 |
A3B15C22 |
-164.11 |
7.49 |
-9.88 |
0.72 |
0 |
|
|
50716 |
12013298 |
1 |
O3C17H18 |
A3B17C18 |
-108.24 |
7.94 |
-9.93 |
-0.91 |
0 |