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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
448347 |
135290282 |
1 |
BrNO3C23H30 |
ABC3D23E30 |
-90.09 |
2.92 |
-8.25 |
0.16 |
0 |
|
|
448348 |
135290283 |
1 |
BrN2O5C28H31 |
AB2C5D28E31 |
-118.89 |
12.31 |
-8.25 |
-0.56 |
0 |
|
|
448349 |
135290288 |
1 |
NO5C21H27 |
AB5C21D27 |
-191.21 |
5.12 |
-9.16 |
-0.25 |
0 |
|
|
448350 |
135290301 |
1 |
BrClN2O3C16H22 |
ABC2D3E16F22 |
-83.02 |
5.52 |
-9.0 |
-0.44 |
0 |
|
|
448351 |
135290311 |
1 |
BrN2O2C20H25 |
AB2C2D20E25 |
-24.8 |
2.92 |
-8.43 |
-0.3 |
0 |
|
|
448352 |
135290315 |
1 |
BrClNO8C17H19 |
ABCD8E17F19 |
-320.21 |
8.45 |
-9.63 |
-1.29 |
0 |
|
|
448353 |
135290316 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-153.63 |
10.57 |
-9.13 |
-1.31 |
0 |
|
|
448354 |
135290327 |
1 |
N2O2H10C13 |
A2B2C10D13 |
1.51 |
5.6 |
-8.12 |
-1.27 |
0 |
|
|
448355 |
135290336 |
2 |
NO3C12H15 |
AB3C12D15 |
-203.6 |
11.48 |
-8.83 |
-0.92 |
0 |
|
|
448356 |
135290338 |
1 |
NO3C11H17 |
AB3C11D17 |
-139.35 |
1.78 |
-10.18 |
0.36 |
0 |
|
|
448357 |
135290340 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-21.77 |
3.65 |
-8.42 |
-0.35 |
0 |
|
|
448358 |
135290345 |
1 |
BrClN2O4C27H28 |
ABC2D4E27F28 |
-98.6 |
11.63 |
-8.96 |
-1.05 |
0 |
|
|
448359 |
135290351 |
1 |
BrClNSO11C22H31 |
ABCDE11F22G31 |
-490.07 |
10.42 |
-8.89 |
-0.6 |
0 |
|
|
448360 |
135290368 |
1 |
ClF2O3N4H19C22 |
AB2C3D4E19F22 |
-142.12 |
12.14 |
-9.61 |
-1.67 |
0 |
|
|
448361 |
135290370 |
1 |
SN2O7C23H28 |
AB2C7D23E28 |
-252.95 |
14.88 |
-9.51 |
-1.57 |
0 |
|
|
448362 |
135290376 |
1 |
OH2I2N2C4 |
AB2C2D2E4 |
30.56 |
4.52 |
-9.81 |
-2.4 |
0 |
|
|
448363 |
135290392 |
2 |
FC5H9 |
AB5C9 |
-127.76 |
3.03 |
-10.72 |
1.9 |
0 |
|
|
448364 |
135290408 |
1 |
FN3O4C30H32 |
AB3C4D30E32 |
-118.54 |
1.57 |
-8.84 |
-0.52 |
0 |
|
|
448365 |
135290412 |
1 |
SN4O7H12C14 |
AB4C7D12E14 |
-157.75 |
11.41 |
-10.19 |
-1.92 |
0 |
|
|
448366 |
135290416 |
1 |
O2N3C27H35 |
A2B3C27D35 |
-45.32 |
4.97 |
-8.84 |
0.09 |
0 |
|
|
448367 |
135290420 |
1 |
O7C18H18 |
A7B18C18 |
-236.77 |
6.71 |
-9.02 |
-0.98 |
0 |
|
|
448368 |
135290428 |
1 |
N2O5C22H24 |
A2B5C22D24 |
-142.49 |
2.59 |
-8.53 |
-1.08 |
0 |
|
|
448369 |
135290451 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-25.48 |
6.63 |
-8.53 |
-0.74 |
0 |
|
|
448370 |
135290455 |
1 |
N3O3H21C23 |
A3B3C21D23 |
27.46 |
7.06 |
-8.27 |
-0.43 |
0 |
|
|
448371 |
135290459 |
1 |
NO5H21C23 |
AB5C21D23 |
-91.27 |
4.66 |
-8.69 |
-0.99 |
0 |
|
|
448372 |
135290466 |
1 |
ClN2O6C22H25 |
AB2C6D22E25 |
-188.8 |
4.53 |
-8.96 |
-1.17 |
0 |
|
|
448373 |
135290467 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-88.88 |
4.84 |
-8.72 |
-0.95 |
0 |
|
|
448374 |
135290468 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-18.76 |
7.79 |
-8.62 |
-0.84 |
0 |
|
|
448375 |
135290469 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-34.3 |
4.1 |
-8.83 |
-0.73 |
0 |
|
|
448376 |
135290477 |
2 |
N2O2H11C12 |
A2B2C11D12 |
2.65 |
4.12 |
-8.48 |
-0.79 |
0 |
|
|
448377 |
135290478 |
2 |
N2O2H11C12 |
A2B2C11D12 |
14.81 |
4.39 |
-8.49 |
-0.81 |
0 |
|
|
448378 |
135290486 |
1 |
N3O5H21C22 |
A3B5C21D22 |
-94.07 |
2.03 |
-8.52 |
-1.0 |
0 |
|
|
448379 |
135290495 |
1 |
N4O5C20H22 |
A4B5C20D22 |
-171.79 |
4.16 |
-8.9 |
-1.08 |
0 |
|
|
448380 |
135290496 |
1 |
N2O4H20C21 |
A2B4C20D21 |
-60.92 |
2.53 |
-8.98 |
-0.97 |
0 |
|
|
448381 |
135290502 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-73.4 |
4.32 |
-8.87 |
-0.2 |
0 |
|
|
448382 |
135290504 |
1 |
ClN3O6C19H32 |
AB3C6D19E32 |
-278.99 |
5.89 |
-9.72 |
-0.08 |
0 |
|
|
448383 |
135290507 |
1 |
ClN2O3C8H13 |
AB2C3D8E13 |
-102.44 |
4.08 |
-9.79 |
-0.21 |
0 |
|
|
448384 |
135290549 |
1 |
ClSO2N6H19C24 |
ABC2D6E19F24 |
111.93 |
5.78 |
-9.26 |
-1.64 |
0 |
|
|
448385 |
135290556 |
1 |
ClSO2N6H23C31 |
ABC2D6E23F31 |
126.34 |
9.42 |
-8.43 |
-1.84 |
0 |
|
|
448386 |
135290569 |
1 |
ClOSN4H21C23 |
ABCD4E21F23 |
100.1 |
7.17 |
-9.34 |
-1.52 |
0 |
|
|
448387 |
135290575 |
1 |
ClOSN7H24C29 |
ABCD7E24F29 |
183.06 |
6.68 |
-9.33 |
-1.74 |
0 |
|
|
448388 |
135290582 |
1 |
N4O13C44H62 |
A4B13C44D62 |
-417.85 |
6.29 |
-7.81 |
-0.98 |
0 |
|
|
448389 |
135290588 |
1 |
O5N6C23H32 |
A5B6C23D32 |
-193.08 |
9.03 |
-8.82 |
-0.43 |
0 |
|
|
448390 |
135290591 |
1 |
ClOSN5H20C25 |
ABCD5E20F25 |
147.76 |
8.95 |
-8.94 |
-1.57 |
0 |
|
|
448391 |
135290600 |
1 |
ClOSN7C28H28 |
ABCD7E28F28 |
131.56 |
6.72 |
-8.9 |
-1.52 |
0 |
|
|
448392 |
135290602 |
1 |
ClSO2N7H22C27 |
ABC2D7E22F27 |
118.45 |
10.44 |
-9.4 |
-1.81 |
0 |
|
|
448393 |
135290603 |
1 |
ClS2N7H20C27 |
AB2C7D20E27 |
233.94 |
6.52 |
-9.3 |
-1.7 |
0 |
|
|
448394 |
135290623 |
1 |
ClSN4H23C24 |
ABC4D23E24 |
119.42 |
8.14 |
-9.24 |
-1.4 |
0 |
|
|
448395 |
135290625 |
1 |
ClOSN6H19C25 |
ABCD6E19F25 |
143.51 |
5.95 |
-9.29 |
-1.68 |
0 |
|
|
448396 |
135290630 |
1 |
ClSO3N5C29H30 |
ABC3D5E29F30 |
1.14 |
5.01 |
-9.34 |
-1.54 |
0 |
|
|
448397 |
135290637 |
1 |
ClSN6H19C24 |
ABC6D19E24 |
180.37 |
8.81 |
-8.73 |
-1.51 |
0 |
|
|
448398 |
135290638 |
1 |
ClSO2N6H21C25 |
ABC2D6E21F25 |
103.37 |
8.76 |
-9.12 |
-1.58 |
0 |
|
|
448399 |
135290642 |
1 |
ClFOSN6H26C30 |
ABCDE6F26G30 |
84.4 |
7.01 |
-9.28 |
-1.66 |
0 |
|
|
448400 |
135290645 |
1 |
ClOSN7H30C31 |
ABCD7E30F31 |
133.33 |
7.47 |
-8.8 |
-1.71 |
0 |
|
|
448401 |
135290649 |
1 |
ClOSN8C29H29 |
ABCD8E29F29 |
144.22 |
3.98 |
-8.73 |
-1.65 |
0 |
|
|
448402 |
135290652 |
2 |
FON2C10H10 |
ABC2D10E10 |
22.57 |
6.18 |
-9.18 |
-1.34 |
0 |
|
|
448403 |
135290672 |
1 |
O3N5F7C18H18 |
A3B5C7D18E18 |
-411.3 |
3.95 |
-9.71 |
-0.97 |
0 |
|
|
448404 |
135290680 |
1 |
F4O6N7C44H53 |
A4B6C7D44E53 |
-331.31 |
4.51 |
-8.36 |
-0.82 |
0 |
|
|
448405 |
135290681 |
1 |
ON3C15H19 |
AB3C15D19 |
62.58 |
2.36 |
-8.43 |
-0.28 |
0 |
|
|
448406 |
135290697 |
1 |
ON3C20H31 |
AB3C20D31 |
4.14 |
5.38 |
-8.8 |
-0.54 |
0 |
|
|
448407 |
135290698 |
1 |
ON3C12H13 |
AB3C12D13 |
51.87 |
5.49 |
-8.78 |
-0.52 |
0 |
|
|
448408 |
135290700 |
1 |
ON4C13H16 |
AB4C13D16 |
79.32 |
1.72 |
-8.77 |
-0.72 |
0 |
|
|
448409 |
135290703 |
1 |
O2N3C19H23 |
A2B3C19D23 |
26.96 |
2.59 |
-8.78 |
-0.56 |
0 |
|
|
448410 |
135290707 |
1 |
NOC13H13 |
ABC13D13 |
63.95 |
4.08 |
-9.62 |
-0.69 |
0 |
|
|
448411 |
135290711 |
1 |
ON3F4H5C10 |
AB3C4D5E10 |
-133.7 |
4.52 |
-10.18 |
-1.65 |
0 |
|
|
448412 |
135290714 |
1 |
ION3C10H16 |
ABC3D10E16 |
6.12 |
3.1 |
-9.22 |
-1.14 |
0 |
|
|
448413 |
135290715 |
1 |
ION3C17H22 |
ABC3D17E22 |
72.88 |
13.36 |
-7.52 |
-0.99 |
0 |
|
|
448414 |
135290717 |
1 |
FIN4O6C19H28 |
ABC4D6E19F28 |
-284.93 |
6.91 |
-9.28 |
-0.83 |
0 |
|
|
448415 |
135290724 |
1 |
O8F10N10C55H66 |
A8B10C10D55E66 |
-733.02 |
6.47 |
-8.3 |
-1.24 |
0 |
|
|
448416 |
135290747 |
1 |
ON2F4H8C12 |
AB2C4D8E12 |
-158.1 |
5.41 |
-9.87 |
-1.3 |
0 |
|
|
448417 |
135290756 |
1 |
NF3O4C10H14 |
AB3C4D10E14 |
-327.7 |
5.95 |
-10.73 |
-0.53 |
0 |
|
|
448418 |
135290765 |
1 |
ION3C14H18 |
ABC3D14E18 |
127.02 |
4.94 |
-8.68 |
-0.83 |
0 |
|
|
448419 |
135290766 |
1 |
NF3O4C8H12 |
AB3C4D8E12 |
-350.63 |
7.2 |
-10.59 |
-0.54 |
0 |
|
|
448420 |
135290767 |
1 |
ON3C14H17 |
AB3C14D17 |
68.32 |
2.45 |
-8.56 |
-0.44 |
0 |
|
|
448421 |
135290774 |
1 |
NF3O5C10H14 |
AB3C5D10E14 |
-368.69 |
6.29 |
-10.45 |
-0.77 |
0 |
|
|
448422 |
135290777 |
1 |
O7F10N10C51H60 |
A7B10C10D51E60 |
-633.71 |
4.91 |
-8.33 |
-1.16 |
0 |
|
|
448423 |
135290784 |
1 |
ON2F4H6C11 |
AB2C4D6E11 |
-151.48 |
4.72 |
-10.11 |
-1.42 |
0 |
|
|
448424 |
135290797 |
1 |
BrO2N3C12H12 |
AB2C3D12E12 |
-31.36 |
6.79 |
-9.39 |
-0.97 |
0 |
|
|
448425 |
135290798 |
1 |
IF4N5O5C31H38 |
AB4C5D5E31F38 |
-352.05 |
5.87 |
-9.19 |
-0.98 |
0 |
|
|
448426 |
135290800 |
2 |
FNOH6C7 |
ABCD6E7 |
-99.21 |
7.5 |
-9.57 |
-1.19 |
0 |
|
|
448427 |
135290817 |
1 |
IF4N5O5C31H38 |
AB4C5D5E31F38 |
-363.46 |
7.8 |
-9.22 |
-0.9 |
0 |
|
|
448428 |
135290820 |
1 |
IO2N3C15H22 |
AB2C3D15E22 |
-42.73 |
2.59 |
-8.53 |
-0.76 |
0 |
|
|
448429 |
135290824 |
1 |
O4N9F12C45H51 |
A4B9C12D45E51 |
-640.48 |
7.59 |
-9.3 |
-1.42 |
0 |
|
|
448430 |
135290853 |
1 |
ClOF3N4H12C13 |
ABC3D4E12F13 |
-127.45 |
3.81 |
-9.64 |
-2.02 |
0 |
|
|
448431 |
135290857 |
1 |
OSF3N3C18H18 |
ABC3D3E18F18 |
-109.92 |
3.38 |
-8.62 |
-1.47 |
0 |
|
|
448432 |
135290861 |
1 |
F3O3N4H17C20 |
A3B3C4D17E20 |
-166.09 |
9.7 |
-9.25 |
-1.83 |
0 |
|
|
448433 |
135290864 |
1 |
SN3C7H13 |
AB3C7D13 |
26.52 |
2.64 |
-8.29 |
0.52 |
0 |
|
|
448434 |
135290869 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-4.22 |
3.91 |
-8.9 |
-1.06 |
0 |
|
|
448435 |
135290892 |
1 |
N2S2O7C26H28 |
A2B2C7D26E28 |
-187.14 |
9.41 |
-8.56 |
-1.39 |
0 |
|
|
448437 |
135290917 |
1 |
NOC14H25 |
ABC14D25 |
-83.38 |
2.8 |
-8.81 |
2.49 |
0 |
|
|
448439 |
135290968 |
1 |
IN2C5H7 |
AB2C5D7 |
31.0 |
4.49 |
-8.9 |
-2.62 |
0 |
|
|
448440 |
135290983 |
1 |
ClC12H17 |
AB12C17 |
-26.13 |
1.46 |
-9.05 |
0.26 |
0 |
|
|
448441 |
135290986 |
1 |
ClNC11H16 |
ABC11D16 |
-16.38 |
2.11 |
-9.12 |
-0.12 |
0 |
|
|
448442 |
135290997 |
1 |
NC13H21 |
AB13C21 |
-18.51 |
2.76 |
-9.23 |
0.3 |
0 |
|
|
448443 |
135290998 |
1 |
ClNC10H14 |
ABC10D14 |
-10.4 |
0.47 |
-9.63 |
-0.23 |
0 |
|
|
448444 |
135291016 |
1 |
ClNC10H14 |
ABC10D14 |
-7.19 |
1.67 |
-9.75 |
-0.22 |
0 |
|
|
448445 |
135291017 |
1 |
ClNC11H16 |
ABC11D16 |
-16.37 |
2.16 |
-9.13 |
-0.07 |
0 |
|
|
448446 |
135291018 |
1 |
ClNC11H16 |
ABC11D16 |
-6.7 |
4.76 |
-9.31 |
-0.2 |
0 |
|
|
448447 |
135291021 |
1 |
ClNC11H16 |
ABC11D16 |
-9.22 |
3.4 |
-9.27 |
-0.17 |
0 |
|
|
448448 |
135291024 |
1 |
NC13H21 |
AB13C21 |
-10.33 |
1.39 |
-8.32 |
0.61 |
0 |