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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
401207 |
135050565 |
1 |
O3H14C16 |
A3B14C16 |
-34.55 |
1.9 |
-9.07 |
-0.32 |
0 |
|
|
401208 |
135050566 |
1 |
N2O5C24H30 |
A2B5C24D30 |
-123.55 |
5.97 |
-8.43 |
0.07 |
0 |
|
|
401209 |
135050567 |
1 |
N2O5C25H32 |
A2B5C25D32 |
-128.9 |
6.22 |
-8.83 |
-0.16 |
0 |
|
|
401210 |
135050568 |
1 |
AlO2C15H27 |
AB2C15D27 |
-85.55 |
2.52 |
-9.57 |
1.16 |
0 |
|
|
401211 |
135050570 |
2 |
LiSiN2C11H27 |
ABC2D11E27 |
-120.79 |
3.43 |
-4.69 |
2.03 |
0 |
|
|
401213 |
135050574 |
1 |
NO2C17H25 |
AB2C17D25 |
-85.43 |
3.95 |
-9.51 |
0.18 |
0 |
|
|
401214 |
135050576 |
1 |
LiNSO2C20H22 |
ABCD2E20F22 |
-56.94 |
1.82 |
-7.85 |
0.0 |
0 |
|
|
401215 |
135050579 |
1 |
N3O3C12H23 |
A3B3C12D23 |
-96.84 |
2.65 |
-8.55 |
0.05 |
0 |
|
|
401216 |
135050582 |
1 |
OSC13H18 |
ABC13D18 |
-8.38 |
3.5 |
-8.72 |
-0.26 |
0 |
|
|
401217 |
135050589 |
1 |
NSnC34H47 |
ABC34D47 |
75.4 |
2.08 |
-8.65 |
0.22 |
0 |
|
|
401218 |
135050590 |
1 |
BrClNOSC31H39 |
ABCDEF31G39 |
-12.6 |
3.42 |
-8.45 |
-0.25 |
0 |
|
|
401219 |
135050591 |
1 |
SnN2O2C23H48 |
AB2C2D23E48 |
-157.38 |
1.39 |
-8.82 |
0.82 |
0 |
|
|
401220 |
135050592 |
1 |
NOLi2H13C15 |
ABC2D13E15 |
-15.41 |
7.69 |
-6.72 |
0.66 |
-1 |
|
|
401221 |
135050601 |
1 |
AlO8C32H60 |
AB8C32D60 |
-432.28 |
1.14 |
0.0 |
0.0 |
-1 |
|
|
401222 |
135050605 |
1 |
InC6H14 |
AB6C14 |
53.12 |
0.22 |
0.0 |
0.0 |
1 |
|
|
401224 |
135050638 |
1 |
LiON2C9H17 |
ABC2D9E17 |
-41.01 |
6.27 |
-6.42 |
1.3 |
0 |
|
|
401225 |
135050639 |
1 |
ON2C9H18 |
AB2C9D18 |
-23.5 |
2.1 |
-7.84 |
1.37 |
0 |
|
|
401226 |
135050641 |
1 |
NO5C26H29 |
AB5C26D29 |
-189.42 |
5.94 |
-9.86 |
-0.42 |
0 |
|
|
401227 |
135050645 |
1 |
NSO2C29H43 |
ABC2D29E43 |
-61.65 |
5.75 |
-9.32 |
-0.62 |
0 |
|
|
401228 |
135050647 |
1 |
BeBrOC4H7 |
ABCD4E7 |
17.07 |
3.42 |
-7.98 |
-0.97 |
0 |
|
|
401229 |
135050651 |
1 |
NSO3C11H21 |
ABC3D11E21 |
-130.21 |
5.79 |
-10.01 |
0.2 |
0 |
|
|
401230 |
135050652 |
4 |
OC4H6 |
AB4C6 |
-195.89 |
5.62 |
-9.79 |
0.87 |
0 |
|
|
401231 |
135050655 |
1 |
BC12H17 |
AB12C17 |
-11.73 |
0.5 |
-9.21 |
-0.18 |
0 |
|
|
401232 |
135050657 |
1 |
NLi2C4H9 |
AB2C4D9 |
6.02 |
10.5 |
-5.49 |
3.53 |
0 |
|
|
401233 |
135050658 |
1 |
BrLiOC11H22 |
ABCD11E22 |
-106.62 |
3.47 |
-8.73 |
-0.11 |
0 |
|
|
401235 |
135050664 |
1 |
ON2C18H32 |
AB2C18D32 |
-55.11 |
0.68 |
-8.69 |
0.42 |
0 |
|
|
401236 |
135050666 |
1 |
SiO2C12H20 |
AB2C12D20 |
-118.22 |
2.07 |
-8.61 |
0.22 |
0 |
|
|
401237 |
135050672 |
1 |
ClOC16H17 |
ABC16D17 |
-38.32 |
3.47 |
-8.74 |
-0.19 |
0 |
|
|
401238 |
135050677 |
1 |
N2O5C27H42 |
A2B5C27D42 |
-178.06 |
6.8 |
-8.84 |
-0.21 |
0 |
|
|
401239 |
135050678 |
1 |
AlLiOC8H16 |
ABCD8E16 |
-82.79 |
5.77 |
-7.62 |
2.45 |
0 |
|
|
401241 |
135050696 |
1 |
SeO4H32C33 |
AB4C32D33 |
-38.64 |
4.01 |
-8.57 |
-0.37 |
0 |
|
|
401242 |
135050702 |
1 |
AlNS2C5H8 |
ABC2D5E8 |
4.58 |
2.34 |
-9.13 |
-0.57 |
0 |
|
|
401243 |
135050703 |
2 |
NOC11H14 |
ABC11D14 |
-65.91 |
1.56 |
-8.11 |
-1.27 |
0 |
|
|
401244 |
135050704 |
1 |
AlNaC24H44 |
ABC24D44 |
-122.23 |
8.32 |
-7.66 |
1.43 |
-1 |
|
|
401245 |
135050705 |
1 |
AlC24H44 |
AB24C44 |
-89.67 |
0.27 |
0.0 |
0.0 |
0 |
|
|
401247 |
135050707 |
1 |
BrCHMgO2 |
ABCDE2 |
-128.73 |
2.73 |
-10.08 |
-1.39 |
0 |
|
|
401248 |
135050708 |
1 |
AlNO2C19H38 |
ABC2D19E38 |
-197.06 |
5.45 |
-8.53 |
0.49 |
0 |
|
|
401249 |
135050709 |
1 |
NSO2H15C18 |
ABC2D15E18 |
25.26 |
4.64 |
-8.29 |
-0.72 |
0 |
|
|
401250 |
135050711 |
1 |
NSiO3C15H31 |
ABC3D15E31 |
-200.3 |
2.8 |
-8.73 |
0.69 |
0 |
|
|
401251 |
135050712 |
1 |
NSiO3C17H35 |
ABC3D17E35 |
-206.86 |
2.88 |
-8.51 |
0.92 |
0 |
|
|
401252 |
135050714 |
1 |
AlOC16H37 |
ABC16D37 |
-157.83 |
1.78 |
-8.46 |
2.33 |
0 |
|
|
401253 |
135050715 |
1 |
ClMgC10H17 |
ABC10D17 |
-57.69 |
3.58 |
-9.32 |
0.25 |
0 |
|
|
401254 |
135050716 |
1 |
NSiO4C11H21 |
ABC4D11E21 |
-231.73 |
4.41 |
-9.14 |
0.52 |
0 |
|
|
401255 |
135050717 |
1 |
SiN2O5C13H28 |
AB2C5D13E28 |
-254.4 |
4.99 |
-8.93 |
0.0 |
0 |
|
|
401256 |
135050719 |
1 |
SO2C16H22 |
AB2C16D22 |
-57.08 |
3.48 |
-8.7 |
-0.12 |
0 |
|
|
401257 |
135050720 |
1 |
AlC8H19 |
AB8C19 |
-28.85 |
0.16 |
-9.12 |
1.71 |
0 |
|
|
401258 |
135050721 |
1 |
ClC14H23 |
AB14C23 |
-25.25 |
2.68 |
-9.85 |
0.39 |
0 |
|
|
401259 |
135050722 |
1 |
TiO4C16H36 |
AB4C16D36 |
-270.35 |
4.71 |
-9.14 |
-2.9 |
0 |
|
|
401260 |
135050724 |
1 |
In2I3C21H21 |
A2B3C21D21 |
66.82 |
2.55 |
-8.76 |
-3.13 |
0 |
|
|
401261 |
135050725 |
1 |
AlOSiC15H33 |
ABCD15E33 |
-147.35 |
1.21 |
-8.7 |
1.23 |
0 |
|
|
401262 |
135050726 |
1 |
OC9H18 |
AB9C18 |
-66.37 |
2.6 |
-9.55 |
2.25 |
0 |
|
|
401263 |
135050733 |
1 |
ON2C17H26 |
AB2C17D26 |
-37.2 |
2.13 |
-9.48 |
0.06 |
0 |
|
|
401264 |
135050735 |
1 |
OSeC18H22 |
ABC18D22 |
-28.1 |
5.99 |
-8.5 |
-0.54 |
0 |
|
|
401265 |
135050737 |
1 |
PO8C27H49 |
AB8C27D49 |
-463.22 |
1.1 |
-9.02 |
0.4 |
0 |
|
|
401266 |
135050739 |
1 |
AlLiO2C22H40 |
ABC2D22E40 |
-127.93 |
9.44 |
-8.96 |
1.12 |
0 |
|
|
401267 |
135050744 |
1 |
N2O3H12C16 |
A2B3C12D16 |
28.12 |
5.57 |
-9.75 |
-0.95 |
0 |
|
|
401268 |
135050747 |
1 |
KOS2N3C4H4 |
ABC2D3E4F4 |
-61.92 |
8.24 |
-7.76 |
-0.34 |
0 |
|
|
401269 |
135050748 |
1 |
NSO3H15C18 |
ABC3D15E18 |
-31.48 |
1.03 |
-8.86 |
-0.69 |
0 |
|
|
401270 |
135050749 |
1 |
N6O9H18C20 |
A6B9C18D20 |
-257.17 |
8.05 |
-9.31 |
-1.21 |
1 |
|
|
401271 |
135050752 |
1 |
N3O4H14C17 |
A3B4C14D17 |
-29.8 |
3.34 |
0.0 |
0.0 |
0 |
|
|
401272 |
135050755 |
1 |
ClNO3C14H14 |
ABC3D14E14 |
-50.51 |
6.37 |
-8.95 |
-1.16 |
0 |
|
|
401273 |
135050759 |
1 |
SN3O4H11C12 |
AB3C4D11E12 |
-10.55 |
5.42 |
-9.51 |
-2.02 |
1 |
|
|
401274 |
135050766 |
1 |
N2O4H9C10 |
A2B4C9D10 |
-24.5 |
7.06 |
0.0 |
0.0 |
0 |
|
|
401275 |
135050769 |
1 |
ClNO2C15H22 |
ABC2D15E22 |
-92.83 |
2.81 |
-9.88 |
-0.37 |
0 |
|
|
401276 |
135050770 |
1 |
NS2O3H13C16 |
AB2C3D13E16 |
-31.85 |
6.49 |
-9.11 |
-0.93 |
0 |
|
|
401277 |
135050771 |
1 |
BNO2H13C16 |
ABC2D13E16 |
51.02 |
3.29 |
0.0 |
0.0 |
0 |
|
|
401278 |
135050774 |
1 |
NO4C15H17 |
AB4C15D17 |
-128.12 |
5.93 |
-9.17 |
-0.83 |
0 |
|
|
401279 |
135050775 |
1 |
NSO9C17H17 |
ABC9D17E17 |
-235.51 |
10.14 |
-9.2 |
-1.78 |
0 |
|
|
401280 |
135050776 |
1 |
SN2O2F3H9C12 |
AB2C2D3E9F12 |
-161.03 |
2.49 |
-9.32 |
-1.37 |
0 |
|
|
401281 |
135050808 |
1 |
NO6C12H21 |
AB6C12D21 |
-289.62 |
1.34 |
-9.99 |
0.63 |
0 |
|
|
401282 |
135050814 |
1 |
ClNO2H16C21 |
ABC2D16E21 |
70.68 |
4.29 |
-8.68 |
-1.14 |
1 |
|
|
401283 |
135050815 |
1 |
NO2H16C21 |
AB2C16D21 |
64.06 |
2.72 |
0.0 |
0.0 |
0 |
|
|
401284 |
135050816 |
1 |
PN2O2H27C35 |
AB2C2D27E35 |
98.09 |
9.69 |
-7.66 |
-0.52 |
0 |
|
|
401285 |
135050817 |
1 |
ClNO6H16C20 |
ABC6D16E20 |
42.8 |
8.12 |
-8.97 |
-4.09 |
0 |
|
|
401286 |
135050819 |
1 |
NO2H15C16 |
AB2C15D16 |
-30.81 |
1.84 |
-9.81 |
-0.84 |
0 |
|
|
401287 |
135050821 |
1 |
NTeO2C16H23 |
ABC2D16E23 |
-20.11 |
6.36 |
-8.72 |
-0.79 |
0 |
|
|
401288 |
135050824 |
1 |
NS2O3C16H17 |
AB2C3D16E17 |
-43.79 |
6.59 |
-8.43 |
-0.53 |
0 |
|
|
401289 |
135050827 |
1 |
ClOSN2C15H17 |
ABCD2E15F17 |
-9.33 |
7.17 |
-8.57 |
-0.88 |
0 |
|
|
401290 |
135050829 |
1 |
OSN3H17C19 |
ABC3D17E19 |
64.95 |
5.47 |
-8.94 |
-0.85 |
0 |
|
|
401291 |
135050830 |
1 |
OSN2H16C18 |
ABC2D16E18 |
65.03 |
8.1 |
-8.63 |
-1.43 |
1 |
|
|
401292 |
135050831 |
1 |
OSN2H17C18 |
ABC2D17E18 |
30.14 |
4.49 |
0.0 |
0.0 |
0 |
|
|
401293 |
135050832 |
1 |
OSN2H12C16 |
ABC2D12E16 |
81.04 |
4.56 |
-9.02 |
-1.11 |
0 |
|
|
401294 |
135050833 |
1 |
ON2C14H14 |
AB2C14D14 |
14.37 |
4.47 |
-8.54 |
-0.29 |
0 |
|
|
401295 |
135050834 |
1 |
ClION2C14H14 |
ABCD2E14F14 |
8.02 |
6.4 |
-8.04 |
-0.85 |
0 |
|
|
401296 |
135050836 |
1 |
O2N3H15C16 |
A2B3C15D16 |
82.79 |
10.13 |
-8.32 |
-1.1 |
0 |
|
|
401297 |
135050837 |
1 |
NO3H15C16 |
AB3C15D16 |
-39.89 |
4.58 |
-8.57 |
-1.15 |
0 |
|
|
401298 |
135050841 |
1 |
N4O7H10C12 |
A4B7C10D12 |
-54.88 |
5.98 |
-10.41 |
-1.88 |
0 |
|
|
401299 |
135050857 |
1 |
ClNS2H6C9 |
ABC2D6E9 |
77.81 |
2.33 |
-9.44 |
-1.79 |
0 |
|
|
401300 |
135050860 |
1 |
Cl2O2N3H9C10 |
A2B2C3D9E10 |
14.29 |
7.1 |
-9.81 |
-1.56 |
0 |
|
|
401301 |
135050872 |
1 |
NOS3H7C10 |
ABC3D7E10 |
35.56 |
2.44 |
-8.52 |
-1.99 |
0 |
|
|
401302 |
135050874 |
1 |
NOCl2H13C16 |
ABC2D13E16 |
-2.06 |
3.26 |
-8.88 |
-1.07 |
0 |
|
|
401303 |
135050876 |
1 |
NOSnCl5H16C21 |
ABCD5E16F21 |
-57.36 |
11.2 |
-10.08 |
-1.84 |
1 |
|
|
401304 |
135050877 |
1 |
NOH16C21 |
ABC16D21 |
85.26 |
3.04 |
0.0 |
0.0 |
0 |
|
|
401305 |
135050878 |
1 |
O3N4F5H15C16 |
A3B4C5D15E16 |
-289.99 |
6.88 |
-10.93 |
-2.08 |
0 |
|
|
401306 |
135050879 |
1 |
NS3H9C10 |
AB3C9D10 |
70.86 |
0.92 |
-8.22 |
-0.6 |
0 |
|
|
401307 |
135050880 |
1 |
NS2O3C6H9 |
AB2C3D6E9 |
-109.86 |
4.52 |
-8.98 |
-0.79 |
0 |
|
|
401308 |
135050881 |
1 |
N3O5H15C18 |
A3B5C15D18 |
-84.58 |
5.0 |
-9.22 |
-1.18 |
1 |
|
|
401309 |
135050882 |
1 |
N3O5H16C18 |
A3B5C16D18 |
-75.28 |
5.06 |
0.0 |
0.0 |
0 |
|
|
401310 |
135050883 |
1 |
NaO2S2N3H8C11 |
AB2C2D3E8F11 |
-41.9 |
19.44 |
-7.98 |
-1.52 |
0 |
|
|
401311 |
135050885 |
1 |
ClNO2C9H10 |
ABC2D9E10 |
-37.01 |
5.01 |
-8.81 |
-0.95 |
0 |