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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71152 |
48414365 |
1 |
ClN3O3C18H20 |
AB3C3D18E20 |
-43.77 |
2.02 |
-8.88 |
-0.58 |
0 |
|
|
71153 |
48414366 |
1 |
ON2C13H22 |
AB2C13D22 |
-13.59 |
3.13 |
-8.79 |
1.03 |
0 |
|
|
71154 |
48414367 |
1 |
ClON2C17H21 |
ABC2D17E21 |
14.25 |
1.79 |
-9.06 |
0.01 |
0 |
|
|
71155 |
48414368 |
1 |
N2O2F3C18H21 |
A2B2C3D18E21 |
-169.92 |
4.66 |
-8.8 |
-0.43 |
0 |
|
|
71156 |
48414370 |
1 |
FO3N4C20H23 |
AB3C4D20E23 |
-90.13 |
1.44 |
-9.09 |
-0.34 |
0 |
|
|
71157 |
48414371 |
1 |
O2N4C19H32 |
A2B4C19D32 |
-70.87 |
2.09 |
-8.89 |
0.82 |
0 |
|
|
71158 |
48414372 |
1 |
BrO2N4C19H21 |
AB2C4D19E21 |
7.25 |
1.81 |
-8.88 |
-1.33 |
0 |
|
|
71159 |
48414376 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-25.46 |
9.99 |
-9.52 |
-1.08 |
0 |
|
|
71160 |
48414378 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-64.63 |
5.71 |
-9.05 |
-0.73 |
0 |
|
|
71161 |
48414379 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
23.76 |
4.07 |
-9.65 |
-1.27 |
0 |
|
|
71162 |
48414380 |
1 |
F2N3O4C21H21 |
A2B3C4D21E21 |
-163.78 |
8.02 |
-9.48 |
-0.81 |
0 |
|
|
71163 |
48414383 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-29.81 |
4.33 |
-9.6 |
-0.74 |
0 |
|
|
71164 |
48414384 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-63.98 |
4.26 |
-9.59 |
-0.72 |
0 |
|
|
71165 |
48414386 |
1 |
SO2N5C15H15 |
AB2C5D15E15 |
59.64 |
4.31 |
-9.78 |
-1.72 |
0 |
|
|
71166 |
48414387 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-131.55 |
5.57 |
-8.73 |
0.02 |
0 |
|
|
71167 |
48414388 |
1 |
N3O5C22H29 |
A3B5C22D29 |
-185.14 |
3.84 |
-8.73 |
-0.05 |
0 |
|
|
71168 |
48414389 |
1 |
FN2O4C23H29 |
AB2C4D23E29 |
-173.21 |
7.22 |
-8.76 |
-0.04 |
0 |
|
|
71169 |
48414390 |
1 |
N2O3C24H32 |
A2B3C24D32 |
-103.66 |
4.58 |
-8.81 |
0.19 |
0 |
|
|
71170 |
48414393 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-10.72 |
2.78 |
-8.88 |
-1.14 |
0 |
|
|
71171 |
48414394 |
2 |
N2O2C9H11 |
A2B2C9D11 |
-94.65 |
5.94 |
-9.04 |
-1.11 |
0 |
|
|
71172 |
48414395 |
1 |
SN2O5C18H26 |
AB2C5D18E26 |
-192.19 |
5.74 |
-8.88 |
-0.01 |
0 |
|
|
71173 |
48414396 |
1 |
N3O3C24H29 |
A3B3C24D29 |
-66.96 |
4.45 |
-8.6 |
-0.08 |
0 |
|
|
71174 |
48414398 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-3.87 |
7.02 |
-8.89 |
-0.94 |
0 |
|
|
71175 |
48414399 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-127.15 |
2.07 |
-8.72 |
-0.22 |
0 |
|
|
71176 |
48414400 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-120.44 |
1.62 |
-8.9 |
-0.57 |
0 |
|
|
71177 |
48414401 |
1 |
N2O5C23H30 |
A2B5C23D30 |
-165.71 |
6.68 |
-8.55 |
0.0 |
0 |
|
|
71178 |
48414402 |
1 |
SN2O3C20H26 |
AB2C3D20E26 |
-81.64 |
4.76 |
-8.72 |
-0.18 |
0 |
|
|
71179 |
48414403 |
2 |
NO2C12H16 |
AB2C12D16 |
-134.8 |
1.95 |
-8.73 |
0.24 |
0 |
|
|
71180 |
48414407 |
1 |
N2O5C23H30 |
A2B5C23D30 |
-159.43 |
4.58 |
-8.71 |
-0.26 |
0 |
|
|
71181 |
48414409 |
1 |
N2O3C24H26 |
A2B3C24D26 |
-58.19 |
6.06 |
-8.66 |
-0.79 |
0 |
|
|
71182 |
48414411 |
1 |
N4O5C21H26 |
A4B5C21D26 |
-89.05 |
6.28 |
-8.69 |
-1.12 |
0 |
|
|
71183 |
48414412 |
1 |
N2O5C23H30 |
A2B5C23D30 |
-161.03 |
3.82 |
-8.86 |
0.04 |
0 |
|
|
71184 |
48414417 |
1 |
N3O5C19H29 |
A3B5C19D29 |
-206.18 |
4.91 |
-8.7 |
0.16 |
0 |
|
|
71185 |
48414421 |
1 |
O3N4C17H22 |
A3B4C17D22 |
17.24 |
6.29 |
-9.12 |
-1.15 |
0 |
|
|
71186 |
48414422 |
1 |
ON5C20H25 |
AB5C20D25 |
86.2 |
3.4 |
-8.95 |
-0.72 |
0 |
|
|
71187 |
48414423 |
1 |
ON5C18H23 |
AB5C18D23 |
63.13 |
3.1 |
-8.97 |
-0.63 |
0 |
|
|
71188 |
48414424 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-47.07 |
1.55 |
-8.81 |
-0.16 |
0 |
|
|
71189 |
48414425 |
1 |
ON5C20H27 |
AB5C20D27 |
54.61 |
3.03 |
-8.96 |
-0.62 |
0 |
|
|
71190 |
48414426 |
1 |
OSN4C21H28 |
ABC4D21E28 |
28.18 |
4.69 |
-8.85 |
-1.04 |
0 |
|
|
71191 |
48414427 |
2 |
ON2C12H13 |
AB2C12D13 |
45.86 |
7.13 |
-8.8 |
-0.73 |
0 |
|
|
71192 |
48414428 |
2 |
ON2C12H13 |
AB2C12D13 |
49.12 |
8.22 |
-8.7 |
-0.68 |
0 |
|
|
71193 |
48414429 |
1 |
O2N3C23H23 |
A2B3C23D23 |
30.63 |
6.58 |
-8.51 |
-0.61 |
0 |
|
|
71194 |
48414430 |
1 |
OSN5C21H21 |
ABC5D21E21 |
127.9 |
6.32 |
-8.76 |
-1.14 |
0 |
|
|
71195 |
48414431 |
1 |
FOSN5H20C21 |
ABCD5E20F21 |
80.86 |
5.28 |
-8.83 |
-1.28 |
0 |
|
|
71196 |
48414432 |
1 |
O2F3N3C16H18 |
A2B3C3D16E18 |
-155.85 |
3.29 |
-9.03 |
-0.85 |
0 |
|
|
71197 |
48414434 |
1 |
OSF2N2C16H18 |
ABC2D2E16F18 |
-65.17 |
3.3 |
-9.06 |
-1.14 |
0 |
|
|
71198 |
48414435 |
1 |
ClFON2C15H16 |
ABCD2E15F16 |
-20.29 |
3.56 |
-8.96 |
-0.89 |
0 |
|
|
71199 |
48414437 |
1 |
OSF3N3C20H20 |
ABC3D3E20F20 |
-100.32 |
3.94 |
-8.99 |
-1.69 |
0 |
|
|
71200 |
48414440 |
1 |
ON2C18H24 |
AB2C18D24 |
18.81 |
3.08 |
-8.83 |
0.25 |
0 |
|
|
71201 |
48414441 |
2 |
NOC9H12 |
ABC9D12 |
-20.07 |
2.45 |
-8.51 |
0.46 |
0 |
|
|
71202 |
48414442 |
1 |
ON2C18H30 |
AB2C18D30 |
-22.17 |
4.9 |
-8.93 |
1.16 |
0 |
|
|
71203 |
48414443 |
1 |
ON5C18H23 |
AB5C18D23 |
68.1 |
3.24 |
-8.91 |
-0.75 |
0 |
|
|
71204 |
48414446 |
1 |
OS2N3C20H23 |
AB2C3D20E23 |
66.0 |
3.05 |
-8.71 |
-0.66 |
0 |
|
|
71205 |
48414449 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-38.86 |
2.93 |
-8.95 |
-0.87 |
0 |
|
|
71206 |
48414450 |
1 |
ON3C21H25 |
AB3C21D25 |
47.97 |
2.96 |
-8.46 |
-0.58 |
0 |
|
|
71207 |
48414451 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-45.82 |
1.22 |
-8.8 |
-0.38 |
0 |
|
|
71208 |
48414453 |
1 |
OSN5C22H25 |
ABC5D22E25 |
101.54 |
4.26 |
-8.94 |
-1.19 |
0 |
|
|
71209 |
48414454 |
2 |
ON2C11H11 |
AB2C11D11 |
82.47 |
3.38 |
-8.87 |
-0.76 |
0 |
|
|
71210 |
48414455 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-31.35 |
3.67 |
-9.13 |
-1.69 |
0 |
|
|
71211 |
48414457 |
2 |
ON2C11H11 |
AB2C11D11 |
82.01 |
4.93 |
-9.2 |
-1.36 |
0 |
|
|
71212 |
48414458 |
1 |
O3N4C20H20 |
A3B4C20D20 |
51.69 |
4.71 |
-9.2 |
-1.56 |
0 |
|
|
71213 |
48414459 |
1 |
FO2N4H21C22 |
AB2C4D21E22 |
35.04 |
3.99 |
-9.16 |
-1.35 |
0 |
|
|
71214 |
48414461 |
1 |
ClN3O4C18H22 |
AB3C4D18E22 |
-86.4 |
4.51 |
-9.04 |
-0.78 |
0 |
|
|
71215 |
48414463 |
1 |
FON4C21H23 |
ABC4D21E23 |
37.99 |
4.14 |
-8.73 |
-0.87 |
0 |
|
|
71216 |
48414466 |
1 |
FON4C22H25 |
ABC4D22E25 |
32.76 |
4.22 |
-8.96 |
-0.91 |
0 |
|
|
71217 |
48414467 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-4.47 |
2.62 |
-8.49 |
0.04 |
0 |
|
|
71218 |
48414469 |
1 |
FON4C18H19 |
ABC4D18E19 |
28.02 |
2.66 |
-8.87 |
-0.78 |
0 |
|
|
71219 |
48414471 |
1 |
ON4C19H22 |
AB4C19D22 |
82.79 |
2.98 |
-8.93 |
-0.45 |
0 |
|
|
71220 |
48414473 |
1 |
ON5C23H25 |
AB5C23D25 |
98.95 |
3.21 |
-8.98 |
-0.97 |
0 |
|
|
71221 |
48414474 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
10.79 |
3.14 |
-9.01 |
-1.01 |
0 |
|
|
71222 |
48414475 |
1 |
F2O2N3C20H21 |
A2B2C3D20E21 |
-71.85 |
6.11 |
-8.95 |
-1.15 |
0 |
|
|
71223 |
48414476 |
1 |
O2N5C18H21 |
A2B5C18D21 |
63.83 |
3.8 |
-8.94 |
-1.2 |
0 |
|
|
71224 |
48414477 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
11.24 |
5.99 |
-8.67 |
-0.87 |
0 |
|
|
71225 |
48414478 |
1 |
O3N4C20H24 |
A3B4C20D24 |
14.94 |
3.8 |
-8.87 |
-0.5 |
0 |
|
|
71226 |
48414479 |
1 |
F2O2N3C18H21 |
A2B2C3D18E21 |
-108.91 |
2.09 |
-8.99 |
-0.83 |
0 |
|
|
71227 |
48414480 |
1 |
FSN3O3C21H22 |
ABC3D3E21F22 |
-57.63 |
6.18 |
-8.99 |
-0.98 |
0 |
|
|
71228 |
48414481 |
1 |
SO2N4C20H22 |
AB2C4D20E22 |
30.72 |
7.38 |
-8.62 |
-0.93 |
0 |
|
|
71229 |
48414485 |
1 |
FN2O2C18H23 |
AB2C2D18E23 |
-59.08 |
3.83 |
-8.81 |
-0.09 |
0 |
|
|
71230 |
48414486 |
1 |
ON3C18H21 |
AB3C18D21 |
53.49 |
4.85 |
-9.02 |
-0.61 |
0 |
|
|
71231 |
48414487 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-76.2 |
1.54 |
-8.48 |
-0.56 |
0 |
|
|
71232 |
48414488 |
2 |
ON2C10H12 |
AB2C10D12 |
0.86 |
3.19 |
-8.77 |
-1.03 |
0 |
|
|
71233 |
48414491 |
1 |
ClSN3O3C19H26 |
ABC3D3E19F26 |
-62.75 |
6.49 |
-8.98 |
-1.06 |
0 |
|
|
71234 |
48414493 |
1 |
SO2F3N3C19H20 |
AB2C3D3E19F20 |
-172.72 |
3.69 |
-9.07 |
-1.21 |
0 |
|
|
71235 |
48414494 |
1 |
ClSO2N3C18H20 |
ABC2D3E18F20 |
-21.67 |
2.4 |
-8.89 |
-0.88 |
0 |
|
|
71236 |
48414495 |
1 |
ClON3C19H20 |
ABC3D19E20 |
42.53 |
2.95 |
-9.04 |
-1.21 |
0 |
|
|
71237 |
48414500 |
1 |
ON3C19H23 |
AB3C19D23 |
49.14 |
2.49 |
-8.56 |
-0.06 |
0 |
|
|
71238 |
48414503 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-30.55 |
4.85 |
-8.86 |
-0.15 |
0 |
|
|
71239 |
48414504 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
19.53 |
1.77 |
-9.09 |
-1.06 |
0 |
|
|
71240 |
48414506 |
1 |
ON4C21H24 |
AB4C21D24 |
85.12 |
5.31 |
-8.61 |
-0.67 |
0 |
|
|
71241 |
48414507 |
1 |
ClON2C18H23 |
ABC2D18E23 |
2.67 |
4.04 |
-8.9 |
-0.09 |
0 |
|
|
71242 |
48414508 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
18.0 |
5.31 |
-9.05 |
-0.96 |
0 |
|
|
71243 |
48414509 |
1 |
OSN3C20H21 |
ABC3D20E21 |
73.87 |
3.11 |
-8.8 |
-0.69 |
0 |
|
|
71244 |
48414511 |
1 |
ON5C23H27 |
AB5C23D27 |
80.0 |
3.37 |
-8.36 |
-0.89 |
0 |
|
|
71245 |
48414513 |
1 |
S2N3O3C19H21 |
A2B3C3D19E21 |
-7.54 |
4.38 |
-8.75 |
-1.26 |
0 |
|
|
71246 |
48414514 |
1 |
S2N3O3C19H27 |
A2B3C3D19E27 |
-53.46 |
8.35 |
-8.85 |
-0.87 |
0 |
|
|
71247 |
48414517 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-18.74 |
2.61 |
-8.8 |
-0.17 |
0 |
|
|
71248 |
48414518 |
1 |
FO2N3C20H22 |
AB2C3D20E22 |
-27.93 |
2.31 |
-8.97 |
-0.86 |
0 |
|
|
71249 |
48414519 |
1 |
Cl2O2N3C20H21 |
A2B2C3D20E21 |
2.34 |
2.08 |
-8.86 |
-1.23 |
0 |
|
|
71250 |
48414521 |
1 |
ClON2C17H21 |
ABC2D17E21 |
15.32 |
4.83 |
-8.89 |
-0.14 |
0 |
|
|
71251 |
48414522 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-47.75 |
1.58 |
-8.87 |
-0.03 |
0 |