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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
436197 |
135194710 |
1 |
ClN2O2H17C19 |
AB2C2D17E19 |
43.65 |
8.67 |
-9.53 |
-1.6 |
0 |
|
|
436198 |
135194711 |
1 |
ClN2O2H17C19 |
AB2C2D17E19 |
43.65 |
8.55 |
-9.54 |
-1.6 |
0 |
|
|
436199 |
135194712 |
1 |
FN2O2H17C19 |
AB2C2D17E19 |
5.61 |
8.53 |
-9.65 |
-1.58 |
0 |
|
|
436200 |
135194793 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-54.26 |
4.01 |
-9.85 |
-1.22 |
0 |
|
|
436201 |
135194823 |
1 |
NOC25H29 |
ABC25D29 |
5.8 |
2.71 |
-8.83 |
0.34 |
0 |
|
|
436202 |
135194833 |
1 |
BrNO2C14H20 |
ABC2D14E20 |
-39.46 |
1.2 |
-9.12 |
-1.24 |
0 |
|
|
436203 |
135194834 |
1 |
PO2N3C18H20 |
AB2C3D18E20 |
64.79 |
9.72 |
-8.48 |
-1.42 |
0 |
|
|
436204 |
135194835 |
1 |
OPN4C17H17 |
ABC4D17E17 |
128.13 |
5.53 |
-9.17 |
-1.75 |
0 |
|
|
436205 |
135194951 |
1 |
N2O3C24H28 |
A2B3C24D28 |
-95.92 |
4.48 |
-9.34 |
0.03 |
0 |
|
|
436206 |
135195049 |
1 |
N3H17C22 |
A3B17C22 |
121.78 |
2.97 |
-9.25 |
-1.06 |
0 |
|
|
436207 |
135195069 |
2 |
OC11H15 |
AB11C15 |
-78.75 |
1.33 |
-8.94 |
0.34 |
0 |
|
|
436208 |
135195093 |
1 |
OF3N5H18C21 |
AB3C5D18E21 |
-54.01 |
6.35 |
-9.96 |
-1.27 |
0 |
|
|
436209 |
135195102 |
1 |
N7O7C45H53 |
A7B7C45D53 |
-217.57 |
3.79 |
-8.4 |
-0.88 |
0 |
|
|
436210 |
135195156 |
2 |
NO3C8H11 |
AB3C8D11 |
-153.93 |
9.99 |
-9.31 |
-1.44 |
0 |
|
|
436211 |
135195176 |
1 |
N7O8C47H49 |
A7B8C47D49 |
-227.29 |
2.53 |
-8.35 |
-0.88 |
0 |
|
|
436212 |
135195225 |
1 |
FNO2C17H26 |
ABC2D17E26 |
-161.14 |
4.09 |
-9.21 |
0.15 |
0 |
|
|
436213 |
135195272 |
1 |
NO2C16H25 |
AB2C16D25 |
-104.8 |
1.42 |
-9.02 |
0.57 |
0 |
|
|
436214 |
135195273 |
1 |
NF2O2C15H21 |
AB2C2D15E21 |
-192.09 |
3.95 |
-9.79 |
-0.41 |
0 |
|
|
436215 |
135195274 |
1 |
NO2C17H27 |
AB2C17D27 |
-115.58 |
1.98 |
-8.98 |
0.58 |
0 |
|
|
436216 |
135195275 |
1 |
FNO2C16H24 |
ABC2D16E24 |
-154.2 |
2.98 |
-9.24 |
0.13 |
0 |
|
|
436217 |
135195276 |
1 |
NCl2O2C15H21 |
AB2C2D15E21 |
-116.89 |
0.5 |
-9.43 |
-0.37 |
0 |
|
|
436218 |
135195277 |
1 |
NF2O2C15H21 |
AB2C2D15E21 |
-190.79 |
2.75 |
-9.76 |
-0.38 |
0 |
|
|
436219 |
135195314 |
2 |
NO3C9H14 |
AB3C9D14 |
-266.87 |
5.15 |
-9.94 |
-0.02 |
0 |
|
|
436221 |
135195316 |
1 |
NO7C17H31 |
AB7C17D31 |
-299.1 |
3.41 |
-9.55 |
0.37 |
0 |
|
|
436222 |
135195330 |
2 |
N2O2H13C14 |
A2B2C13D14 |
-53.88 |
5.79 |
-8.08 |
-1.83 |
0 |
|
|
436223 |
135195437 |
1 |
SO2N5C24H35 |
AB2C5D24E35 |
-10.24 |
6.16 |
-7.47 |
0.41 |
0 |
|
|
436224 |
135195438 |
1 |
SO3N5C24H35 |
AB3C5D24E35 |
-34.95 |
3.85 |
-7.14 |
0.13 |
0 |
|
|
436225 |
135195440 |
1 |
SF2O2N5C23H31 |
AB2C2D5E23F31 |
-92.57 |
5.39 |
-7.47 |
-0.07 |
0 |
|
|
436226 |
135195441 |
1 |
ClSO2N5C22H30 |
ABC2D5E22F30 |
-7.36 |
9.47 |
-7.57 |
0.14 |
0 |
|
|
436227 |
135195525 |
1 |
ClO2N6H13C14 |
AB2C6D13E14 |
31.42 |
3.49 |
-9.32 |
-1.49 |
0 |
|
|
436228 |
135195558 |
1 |
N3C11H17 |
A3B11C17 |
59.32 |
4.49 |
-8.61 |
-0.14 |
0 |
|
|
436229 |
135195559 |
2 |
NC6H9 |
AB6C9 |
40.23 |
2.4 |
-8.23 |
0.13 |
0 |
|
|
436230 |
135195561 |
1 |
N4C9H14 |
A4B9C14 |
71.47 |
2.27 |
-9.25 |
-0.61 |
0 |
|
|
436231 |
135195562 |
1 |
N3C10H15 |
A3B10C15 |
60.27 |
2.07 |
-8.56 |
-0.38 |
0 |
|
|
436232 |
135195563 |
1 |
N3C11H17 |
A3B11C17 |
34.99 |
1.81 |
-8.74 |
0.14 |
0 |
|
|
436233 |
135195683 |
1 |
FO2C16H21 |
AB2C16D21 |
-142.86 |
2.59 |
-9.68 |
-0.75 |
0 |
|
|
436234 |
135195684 |
1 |
FO3C15H19 |
AB3C15D19 |
-179.28 |
3.21 |
-9.83 |
-0.84 |
0 |
|
|
436235 |
135195685 |
1 |
NF3O4H28C29 |
AB3C4D28E29 |
-240.43 |
3.25 |
-8.51 |
-0.78 |
0 |
|
|
436236 |
135195686 |
1 |
FN2O4C28H29 |
AB2C4D28E29 |
-142.06 |
4.2 |
-8.29 |
-0.47 |
0 |
|
|
436237 |
135195687 |
1 |
FN3O4C27H30 |
AB3C4D27E30 |
-139.96 |
1.91 |
-8.49 |
-0.3 |
0 |
|
|
436238 |
135195688 |
1 |
FO5C22H23 |
AB5C22D23 |
-210.49 |
2.61 |
-8.36 |
-0.95 |
0 |
|
|
436239 |
135195689 |
1 |
FSO5C16H21 |
ABC5D16E21 |
-264.05 |
4.1 |
-9.77 |
-0.84 |
0 |
|
|
436240 |
135195690 |
1 |
FO5C21H21 |
AB5C21D21 |
-208.01 |
5.56 |
-8.52 |
-1.02 |
0 |
|
|
436241 |
135195691 |
1 |
NF3O4C30H30 |
AB3C4D30E30 |
-252.84 |
2.58 |
-8.2 |
-0.41 |
0 |
|
|
436242 |
135195692 |
1 |
FNO5C30H32 |
ABC5D30E32 |
-193.97 |
3.57 |
-8.41 |
-0.19 |
0 |
|
|
436243 |
135195693 |
1 |
FN2O4C29H31 |
AB2C4D29E31 |
-151.29 |
1.31 |
-8.38 |
-0.3 |
0 |
|
|
436244 |
135195695 |
1 |
FN2O3C22H23 |
AB2C3D22E23 |
-107.06 |
5.68 |
-8.41 |
-0.89 |
0 |
|
|
436245 |
135195804 |
1 |
NOH35C53 |
ABC35D53 |
203.65 |
1.37 |
-7.95 |
-0.95 |
0 |
|
|
436246 |
135195805 |
1 |
NSH35C53 |
ABC35D53 |
229.85 |
0.87 |
-7.91 |
-0.85 |
0 |
|
|
436247 |
135195806 |
1 |
NSH35C53 |
ABC35D53 |
229.47 |
0.13 |
-7.89 |
-0.81 |
0 |
|
|
436248 |
135195807 |
1 |
NOH35C53 |
ABC35D53 |
201.81 |
0.65 |
-8.0 |
-0.8 |
0 |
|
|
436249 |
135195808 |
1 |
NSH35C53 |
ABC35D53 |
231.24 |
1.4 |
-8.13 |
-0.95 |
0 |
|
|
436250 |
135195809 |
1 |
NSH35C53 |
ABC35D53 |
230.17 |
1.09 |
-7.97 |
-0.89 |
0 |
|
|
436251 |
135195810 |
1 |
NSH35C53 |
ABC35D53 |
231.44 |
1.05 |
-8.09 |
-1.01 |
0 |
|
|
436252 |
135195811 |
1 |
NOH35C53 |
ABC35D53 |
205.89 |
1.91 |
-8.06 |
-0.9 |
0 |
|
|
436253 |
135195812 |
1 |
NSH35C53 |
ABC35D53 |
228.27 |
1.13 |
-7.98 |
-0.9 |
0 |
|
|
436254 |
135195813 |
1 |
NOH35C53 |
ABC35D53 |
198.41 |
1.61 |
-7.98 |
-0.94 |
0 |
|
|
436255 |
135195845 |
1 |
NSH37C57 |
ABC37D57 |
245.71 |
0.7 |
-7.96 |
-0.93 |
0 |
|
|
436256 |
135195924 |
2 |
O3H8C10 |
A3B8C10 |
-189.73 |
1.73 |
-8.45 |
-1.44 |
0 |
|
|
436257 |
135195925 |
1 |
O6C29H30 |
A6B29C30 |
-223.3 |
5.43 |
-8.51 |
-1.52 |
0 |
|
|
436258 |
135195926 |
1 |
O5H20C22 |
A5B20C22 |
-157.64 |
4.92 |
-8.38 |
-1.36 |
0 |
|
|
436259 |
135195927 |
3 |
O4H16C19 |
A4B16C19 |
-342.69 |
5.18 |
-8.43 |
-1.45 |
0 |
|
|
436260 |
135195928 |
1 |
SN4O11C36H52 |
AB4C11D36E52 |
-490.61 |
9.38 |
-9.64 |
-0.28 |
0 |
|
|
436261 |
135195961 |
1 |
N2O3C24H28 |
A2B3C24D28 |
-84.05 |
4.45 |
-7.85 |
0.08 |
0 |
|
|
436262 |
135196010 |
1 |
ON2C10H16 |
AB2C10D16 |
-29.74 |
5.31 |
-10.01 |
-0.54 |
0 |
|
|
436264 |
135196246 |
1 |
ClN4C11H13 |
AB4C11D13 |
74.25 |
1.93 |
-8.2 |
-0.92 |
0 |
|
|
436265 |
135196247 |
1 |
ClOSF3N4C14H16 |
ABCD3E4F14G16 |
-158.35 |
7.02 |
-8.78 |
-0.78 |
0 |
|
|
436266 |
135196440 |
1 |
F2N5C8H13 |
A2B5C8D13 |
-36.77 |
7.35 |
-9.73 |
-0.16 |
0 |
|
|
436267 |
135196448 |
1 |
SN2O6C16H28 |
AB2C6D16E28 |
-310.12 |
3.93 |
-9.49 |
-0.2 |
0 |
|
|
436268 |
135196470 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-151.19 |
4.57 |
-9.49 |
0.24 |
0 |
|
|
436269 |
135196494 |
1 |
NSO3C13H25 |
ABC3D13E25 |
-180.7 |
4.28 |
-9.01 |
0.35 |
0 |
|
|
436270 |
135196513 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-189.11 |
6.18 |
-9.31 |
0.48 |
0 |
|
|
436271 |
135196651 |
2 |
O2F3H8C18 |
A2B3C8D18 |
-326.38 |
10.53 |
-9.17 |
-1.72 |
0 |
|
|
436272 |
135196652 |
1 |
OSN7C29H45 |
ABC7D29E45 |
23.83 |
4.86 |
-7.78 |
-0.1 |
0 |
|
|
436273 |
135196749 |
1 |
FIPC4H7 |
ABCD4E7 |
-99.22 |
2.87 |
-9.34 |
-0.92 |
0 |
|
|
436275 |
135196778 |
1 |
NSO5C16H23 |
ABC5D16E23 |
-205.45 |
2.87 |
-9.05 |
-0.04 |
0 |
|
|
436277 |
135196780 |
1 |
SN2O8C31H34 |
AB2C8D31E34 |
-248.42 |
3.24 |
-8.97 |
-0.96 |
0 |
|
|
436280 |
135197105 |
1 |
N3C13H19 |
A3B13C19 |
47.36 |
3.49 |
-9.03 |
0.26 |
0 |
|
|
436281 |
135197195 |
1 |
SF2O3N8C24H24 |
AB2C3D8E24F24 |
-84.58 |
4.92 |
-8.05 |
-1.31 |
0 |
|
|
436282 |
135197304 |
1 |
O3N4C7H12 |
A3B4C7D12 |
-68.0 |
5.55 |
-10.89 |
-0.8 |
0 |
|
|
436283 |
135197350 |
1 |
ClFN5O9H25C27 |
ABC5D9E25F27 |
-314.82 |
1.87 |
-9.48 |
-1.06 |
0 |
|
|
436284 |
135197439 |
1 |
N2H34C39 |
A2B34C39 |
130.08 |
2.2 |
-8.03 |
-0.37 |
0 |
|
|
436285 |
135197481 |
1 |
SN2O2H8C12 |
AB2C2D8E12 |
0.99 |
1.23 |
-9.49 |
-1.78 |
0 |
|
|
436286 |
135197597 |
1 |
ClFSN5O5H25C26 |
ABCD5E5F25G26 |
-141.11 |
2.54 |
-8.26 |
-1.29 |
0 |
|
|
436287 |
135197855 |
1 |
FPN4O13C30H42 |
ABC4D13E30F42 |
-659.56 |
3.95 |
-9.25 |
-0.66 |
0 |
|
|
436288 |
135197923 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-22.59 |
2.3 |
-8.97 |
-0.68 |
0 |
|
|
436289 |
135198139 |
1 |
O3N7H29C32 |
A3B7C29D32 |
21.24 |
11.35 |
-8.26 |
-1.48 |
0 |
|
|
436290 |
135198189 |
1 |
ClN4H13C18 |
AB4C13D18 |
105.82 |
5.3 |
-8.39 |
-0.95 |
0 |
|
|
436291 |
135198192 |
1 |
FO3N6H27C29 |
AB3C6D27E29 |
-52.45 |
13.62 |
-8.14 |
-1.09 |
0 |
|
|
436292 |
135198220 |
1 |
FNSO3C19H30 |
ABCD3E19F30 |
-177.44 |
6.75 |
-8.81 |
-0.01 |
0 |
|
|
436293 |
135198232 |
1 |
ON6C18H22 |
AB6C18D22 |
33.32 |
5.83 |
-8.35 |
-0.11 |
0 |
|
|
436294 |
135198240 |
1 |
FO3N6C33H33 |
AB3C6D33E33 |
-69.98 |
10.8 |
-8.17 |
-1.22 |
0 |
|
|
436295 |
135198325 |
1 |
NF2O4H17C18 |
AB2C4D17E18 |
-227.59 |
9.06 |
-9.6 |
-1.35 |
0 |
|
|
436296 |
135198355 |
1 |
FNO4H16C17 |
ABC4D16E17 |
-172.49 |
9.36 |
-9.4 |
-1.31 |
0 |
|
|
436297 |
135198416 |
1 |
FC18H29 |
AB18C29 |
-81.14 |
2.28 |
-9.38 |
1.21 |
0 |
|
|
436298 |
135198464 |
1 |
ClNOF2H18C19 |
ABCD2E18F19 |
-120.61 |
4.2 |
-9.03 |
-0.44 |
0 |
|
|
436299 |
135198466 |
1 |
SO4N5C12H15 |
AB4C5D12E15 |
-105.68 |
5.76 |
-9.6 |
-0.99 |
0 |
|
|
436300 |
135198467 |
1 |
ClFO5N7H33C35 |
ABC5D7E33F35 |
-101.12 |
7.2 |
-8.56 |
-0.72 |
0 |
|
|
436301 |
135198471 |
1 |
FNC14H14 |
ABC14D14 |
-9.37 |
2.31 |
-8.24 |
-0.15 |
0 |
|
|
436302 |
135198473 |
1 |
ClO2N6C20H25 |
AB2C6D20E25 |
22.46 |
3.6 |
-8.51 |
-0.76 |
0 |