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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
124463 |
50884690 |
1 |
N3O6H11C18 |
A3B6C11D18 |
-138.83 |
6.35 |
-9.63 |
-2.29 |
0 |
|
|
124464 |
50884691 |
1 |
NO7H15C20 |
AB7C15D20 |
-188.91 |
2.32 |
-9.54 |
-2.08 |
0 |
|
|
124465 |
50884692 |
1 |
Cl2N2O6H22C27 |
A2B2C6D22E27 |
-151.27 |
8.09 |
-9.01 |
-1.98 |
0 |
|
|
124466 |
50884693 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-49.41 |
12.38 |
-9.49 |
-1.9 |
0 |
|
|
124467 |
50884772 |
1 |
Cl2N2O4H20C27 |
A2B2C4D20E27 |
-61.98 |
5.48 |
-8.64 |
-1.38 |
0 |
|
|
124468 |
50884828 |
1 |
BrClN2O4H18C21 |
ABC2D4E18F21 |
-82.88 |
12.27 |
-8.86 |
-1.62 |
0 |
|
|
124469 |
50884853 |
1 |
N4O8H24C27 |
A4B8C24D27 |
-243.87 |
5.76 |
-9.68 |
-1.53 |
0 |
|
|
124470 |
50884854 |
1 |
SN3O6H9C15 |
AB3C6D9E15 |
-79.36 |
10.83 |
-9.23 |
-2.29 |
0 |
|
|
124471 |
50884855 |
1 |
BrO2N3H20C21 |
AB2C3D20E21 |
25.03 |
6.97 |
-8.75 |
-1.17 |
0 |
|
|
124472 |
50884856 |
1 |
BrNO3C18H20 |
ABC3D18E20 |
-53.57 |
2.33 |
-8.24 |
-0.73 |
0 |
|
|
124473 |
50884857 |
1 |
ON3C16H21 |
AB3C16D21 |
1.25 |
3.57 |
-8.64 |
-0.24 |
0 |
|
|
124474 |
50884858 |
1 |
BrN2O5C17H19 |
AB2C5D17E19 |
-179.28 |
5.54 |
-8.78 |
-1.59 |
0 |
|
|
124475 |
50884859 |
1 |
N4O7H14C17 |
A4B7C14D17 |
-199.64 |
6.42 |
-10.03 |
-2.52 |
0 |
|
|
124476 |
50884860 |
1 |
IO2N3H20C21 |
AB2C3D20E21 |
38.45 |
5.42 |
-8.62 |
-1.03 |
0 |
|
|
124477 |
50884861 |
1 |
N4O6H24C25 |
A4B6C24D25 |
-68.06 |
13.0 |
-8.85 |
-1.98 |
0 |
|
|
124478 |
50884862 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-55.02 |
13.36 |
-9.25 |
-1.88 |
0 |
|
|
124479 |
50884863 |
1 |
N2O5H16C22 |
A2B5C16D22 |
15.64 |
1.69 |
-9.24 |
-1.99 |
0 |
|
|
124480 |
50884864 |
1 |
IN4O4C31H31 |
AB4C4D31E31 |
-16.6 |
8.94 |
-8.79 |
-0.87 |
0 |
|
|
124481 |
50884865 |
1 |
O2S2N4H20C33 |
A2B2C4D20E33 |
168.67 |
7.46 |
-9.1 |
-1.37 |
0 |
|
|
124482 |
50884866 |
1 |
ClO6C16H17 |
AB6C16D17 |
-227.12 |
3.57 |
-8.84 |
-1.54 |
0 |
|
|
124483 |
50884880 |
1 |
ClN2O4H15C20 |
AB2C4D15E20 |
-55.85 |
6.07 |
-8.77 |
-1.35 |
0 |
|
|
124484 |
50884897 |
1 |
N2O3H18C23 |
A2B3C18D23 |
11.24 |
4.75 |
-8.62 |
-1.74 |
0 |
|
|
124485 |
50884898 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-53.65 |
13.08 |
-9.34 |
-1.95 |
0 |
|
|
124486 |
50884958 |
1 |
INO2H16C20 |
ABC2D16E20 |
31.31 |
1.91 |
-8.96 |
-1.32 |
0 |
|
|
124487 |
50884981 |
1 |
O2N3H21C23 |
A2B3C21D23 |
26.34 |
6.22 |
-8.4 |
-0.94 |
0 |
|
|
124488 |
50884983 |
1 |
O7H14C18 |
A7B14C18 |
-223.24 |
6.14 |
-9.6 |
-2.09 |
0 |
|
|
124489 |
50885037 |
1 |
BrO2N3H16C17 |
AB2C3D16E17 |
-0.54 |
2.46 |
-8.48 |
-0.8 |
0 |
|
|
124490 |
50885085 |
1 |
N2O3H14C18 |
A2B3C14D18 |
-21.35 |
3.74 |
-8.7 |
-1.16 |
0 |
|
|
124491 |
50885088 |
1 |
N2O5H20C27 |
A2B5C20D27 |
-70.63 |
3.39 |
-9.31 |
-2.31 |
0 |
|
|
124492 |
50885201 |
1 |
N3O7H15C22 |
A3B7C15D22 |
-83.54 |
12.93 |
-8.62 |
-2.02 |
0 |
|
|
124493 |
50885202 |
1 |
NOF3H16C20 |
ABC3D16E20 |
-115.59 |
1.99 |
-8.77 |
-1.13 |
0 |
|
|
124494 |
50885240 |
2 |
NO2H6C7 |
AB2C6D7 |
-76.02 |
7.61 |
-8.95 |
-1.62 |
0 |
|
|
124495 |
50885243 |
1 |
BrN2O2H15C19 |
AB2C2D15E19 |
17.23 |
2.46 |
-8.51 |
-0.92 |
0 |
|
|
124496 |
50885244 |
1 |
N2O5H16C19 |
A2B5C16D19 |
-114.59 |
11.59 |
-8.6 |
-1.53 |
0 |
|
|
124497 |
50885245 |
1 |
BrN2O3H11C14 |
AB2C3D11E14 |
-43.89 |
6.22 |
-8.74 |
-1.23 |
0 |
|
|
124498 |
50885342 |
1 |
N3O3H17C20 |
A3B3C17D20 |
-28.4 |
2.51 |
-8.59 |
-1.15 |
0 |
|
|
124499 |
50885367 |
1 |
O12H28C29 |
A12B28C29 |
-411.32 |
7.46 |
-8.91 |
-1.6 |
0 |
|
|
124500 |
50885394 |
1 |
BrINO2H15C16 |
ABCD2E15F16 |
14.09 |
2.67 |
-8.9 |
-0.99 |
0 |
|
|
124501 |
50885551 |
1 |
ClO4H19C27 |
AB4C19D27 |
-43.02 |
2.63 |
-9.07 |
-1.38 |
0 |
|
|
124502 |
50885644 |
2 |
N2O2C15H15 |
A2B2C15D15 |
-34.25 |
2.28 |
-8.36 |
-0.32 |
0 |
|
|
124503 |
50885645 |
1 |
N2O5H26C28 |
A2B5C26D28 |
-81.41 |
3.41 |
-8.48 |
-1.34 |
0 |
|
|
124504 |
50885646 |
1 |
NOC21H21 |
ABC21D21 |
25.02 |
2.99 |
-7.94 |
0.08 |
0 |
|
|
124505 |
50885647 |
1 |
BrSN3O5H16C28 |
ABC3D5E16F28 |
55.89 |
4.81 |
-9.42 |
-1.77 |
0 |
|
|
124506 |
50885672 |
1 |
N4H18C19 |
A4B18C19 |
115.97 |
10.98 |
-8.48 |
-0.84 |
0 |
|
|
124507 |
50885775 |
1 |
ClN2O2H21C25 |
AB2C2D21E25 |
12.43 |
2.9 |
-8.85 |
-0.74 |
0 |
|
|
124508 |
50885791 |
1 |
N2O5H14C23 |
A2B5C14D23 |
-13.74 |
6.01 |
-9.52 |
-2.13 |
0 |
|
|
124509 |
50885792 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-41.41 |
13.84 |
-8.47 |
-1.29 |
0 |
|
|
124510 |
50885804 |
2 |
ON2H8C10 |
AB2C8D10 |
28.89 |
10.85 |
-9.32 |
-1.81 |
0 |
|
|
124511 |
50885805 |
2 |
NO3H11C15 |
AB3C11D15 |
-91.29 |
8.56 |
-9.05 |
-2.05 |
0 |
|
|
124512 |
50885806 |
1 |
N2O8H18C21 |
A2B8C18D21 |
-275.45 |
5.6 |
-9.47 |
-2.09 |
0 |
|
|
124513 |
50885807 |
1 |
ClSN2O2H21C24 |
ABC2D2E21F24 |
31.08 |
7.12 |
-8.65 |
-1.14 |
0 |
|
|
124514 |
50885841 |
1 |
O3N4H14C19 |
A3B4C14D19 |
7.3 |
12.18 |
-9.04 |
-1.85 |
0 |
|
|
124515 |
50885932 |
1 |
ClN2O5H25C26 |
AB2C5D25E26 |
-132.34 |
8.07 |
-9.46 |
-2.15 |
0 |
|
|
124516 |
50886093 |
1 |
BrClNO3H17C21 |
ABCD3E17F21 |
-24.79 |
6.22 |
-8.43 |
-0.72 |
0 |
|
|
124517 |
50886237 |
1 |
SN2O3H12C17 |
AB2C3D12E17 |
-24.97 |
6.47 |
-8.96 |
-2.04 |
0 |
|
|
124518 |
50887040 |
1 |
BrClN2O5H22C23 |
ABC2D5E22F23 |
-123.59 |
8.16 |
-9.08 |
-1.78 |
0 |
|
|
124519 |
50887054 |
1 |
Cl2N2O5H16C20 |
A2B2C5D16E20 |
-113.28 |
9.82 |
-8.99 |
-1.49 |
0 |
|
|
124520 |
50887056 |
1 |
SN3O5H25C26 |
AB3C5D25E26 |
-73.77 |
10.59 |
-8.74 |
-1.54 |
0 |
|
|
124521 |
50887093 |
1 |
ClN2O5H21C22 |
AB2C5D21E22 |
-125.09 |
8.08 |
-8.68 |
-1.51 |
0 |
|
|
124522 |
50887094 |
1 |
BrClN2O5H22C23 |
ABC2D5E22F23 |
-122.17 |
6.46 |
-8.8 |
-1.76 |
0 |
|
|
124523 |
50887095 |
1 |
BrClN2O5H20C26 |
ABC2D5E20F26 |
-77.65 |
7.81 |
-8.98 |
-1.91 |
0 |
|
|
124524 |
50887096 |
1 |
SBr2N3O4H19C20 |
AB2C3D4E19F20 |
-63.4 |
11.96 |
-9.11 |
-1.85 |
0 |
|
|
124525 |
50887097 |
1 |
ClBr2N2O4H17C21 |
AB2C2D4E17F21 |
-78.49 |
12.37 |
-8.93 |
-1.72 |
0 |
|
|
124526 |
50887098 |
1 |
ClN2O5H19C23 |
AB2C5D19E23 |
-55.5 |
9.96 |
-8.71 |
-1.55 |
0 |
|
|
124527 |
50887099 |
1 |
SN3O6C21H21 |
AB3C6D21E21 |
-145.58 |
8.3 |
-9.03 |
-1.43 |
0 |
|
|
124528 |
50887138 |
1 |
ClO3N4H27C32 |
AB3C4D27E32 |
29.41 |
8.03 |
-8.7 |
-0.56 |
0 |
|
|
124529 |
50887146 |
1 |
O2N5C15H15 |
A2B5C15D15 |
13.84 |
7.25 |
-9.59 |
-2.04 |
0 |
|
|
124530 |
50887147 |
1 |
SN4O4C12H16 |
AB4C4D12E16 |
-22.19 |
10.76 |
-8.88 |
-1.36 |
0 |
|
|
124531 |
50887148 |
1 |
NO2C19H23 |
AB2C19D23 |
-58.28 |
6.4 |
-7.9 |
-0.74 |
0 |
|
|
124532 |
50887149 |
1 |
O4N5H19C22 |
A4B5C19D22 |
21.44 |
9.77 |
-9.54 |
-2.19 |
0 |
|
|
124533 |
50887150 |
1 |
ClN3O7H20C22 |
AB3C7D20E22 |
-122.01 |
10.97 |
-9.12 |
-1.76 |
0 |
|
|
124534 |
50887151 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-60.56 |
2.72 |
-8.32 |
-0.13 |
0 |
|
|
124535 |
50887152 |
1 |
ClN3O4C17H18 |
AB3C4D17E18 |
-17.94 |
4.88 |
-8.67 |
-1.05 |
0 |
|
|
124536 |
50887153 |
1 |
BrN3O5H16C25 |
AB3C5D16E25 |
18.79 |
7.79 |
-9.63 |
-2.47 |
0 |
|
|
124537 |
50887154 |
1 |
N2C17H20 |
A2B17C20 |
57.49 |
1.66 |
-8.12 |
-0.18 |
0 |
|
|
124538 |
50887155 |
1 |
ClSN3O7H18C24 |
ABC3D7E18F24 |
-166.62 |
11.0 |
-9.09 |
-2.06 |
0 |
|
|
124539 |
50887156 |
1 |
INO3C18H20 |
ABC3D18E20 |
-39.41 |
3.99 |
-8.22 |
-0.64 |
0 |
|
|
124540 |
50887159 |
1 |
N2O6C15H16 |
A2B6C15D16 |
-84.25 |
2.06 |
-9.35 |
-1.96 |
0 |
|
|
124541 |
50887160 |
1 |
ClN4O4C21H23 |
AB4C4D21E23 |
-109.77 |
7.11 |
-9.62 |
-1.91 |
0 |
|
|
124542 |
50887161 |
2 |
N2O2H11C12 |
A2B2C11D12 |
-62.68 |
8.87 |
-9.58 |
-2.12 |
0 |
|
|
124543 |
50887162 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-63.07 |
6.11 |
-8.73 |
-1.01 |
0 |
|
|
124544 |
50887163 |
1 |
INO3C16H16 |
ABC3D16E16 |
-37.44 |
3.29 |
-8.4 |
-0.77 |
0 |
|
|
124545 |
50887164 |
1 |
N3O7C17H19 |
A3B7C17D19 |
-172.72 |
7.81 |
-9.21 |
-1.54 |
0 |
|
|
124546 |
50887197 |
1 |
NO3C23H23 |
AB3C23D23 |
-36.81 |
0.74 |
-8.13 |
-0.48 |
0 |
|
|
124547 |
50887212 |
1 |
ISN3O5C20H20 |
ABC3D5E20F20 |
-82.35 |
12.45 |
-8.88 |
-1.65 |
0 |
|
|
124548 |
50887213 |
1 |
NO2C23H23 |
AB2C23D23 |
6.11 |
1.21 |
-8.54 |
-0.47 |
0 |
|
|
124549 |
50887214 |
1 |
N4O5C22H24 |
A4B5C22D24 |
-29.9 |
11.88 |
-8.59 |
-1.04 |
0 |
|
|
124550 |
50887215 |
1 |
N2O5H20C27 |
A2B5C20D27 |
-67.24 |
8.53 |
-9.57 |
-2.22 |
0 |
|
|
124551 |
50887216 |
1 |
O4N7H11C12 |
A4B7C11D12 |
-21.74 |
5.25 |
-10.2 |
-2.02 |
0 |
|
|
124552 |
50887217 |
1 |
N2O5C18H20 |
A2B5C18D20 |
-74.0 |
7.81 |
-8.61 |
-1.13 |
0 |
|
|
124553 |
50887218 |
1 |
ClNOH16C22 |
ABCD16E22 |
64.54 |
3.28 |
-8.76 |
-1.03 |
0 |
|
|
124554 |
50887219 |
1 |
IO2N4H15C20 |
AB2C4D15E20 |
55.24 |
7.73 |
-9.43 |
-2.07 |
0 |
|
|
124555 |
50887220 |
1 |
SN3C12H17 |
AB3C12D17 |
38.92 |
5.47 |
-8.66 |
-0.7 |
0 |
|
|
124556 |
50887221 |
1 |
SN3O6C15H15 |
AB3C6D15E15 |
-121.83 |
6.62 |
-9.42 |
-2.17 |
0 |
|
|
124557 |
50887237 |
1 |
ClIN2O5H18C21 |
ABC2D5E18F21 |
-98.93 |
7.79 |
-8.92 |
-1.78 |
0 |
|
|
124558 |
50887238 |
1 |
N3O4C24H25 |
A3B4C24D25 |
19.05 |
7.89 |
-8.42 |
-0.98 |
0 |
|
|
124559 |
50887248 |
1 |
O2N3C26H27 |
A2B3C26D27 |
-7.02 |
4.27 |
-8.55 |
-0.71 |
0 |
|
|
124560 |
50887320 |
1 |
N2O5H22C24 |
A2B5C22D24 |
-109.71 |
8.33 |
-9.43 |
-2.06 |
0 |
|
|
124561 |
50887321 |
1 |
NO3C23H25 |
AB3C23D25 |
-34.89 |
6.06 |
-9.23 |
-1.46 |
0 |
|
|
124562 |
50887322 |
1 |
N4O5C18H18 |
A4B5C18D18 |
-55.22 |
5.47 |
-8.76 |
-1.27 |
0 |