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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
336306 |
127255313 |
1 |
ON2C19H24 |
AB2C19D24 |
-15.71 |
6.2 |
-8.7 |
0.17 |
0 |
|
|
336307 |
127255314 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-15.03 |
11.55 |
-8.55 |
-1.08 |
0 |
|
|
336308 |
127255315 |
1 |
SO2N4H18C19 |
AB2C4D18E19 |
22.62 |
3.77 |
-8.03 |
-0.68 |
0 |
|
|
336309 |
127255316 |
1 |
ON2H12C14 |
AB2C12D14 |
20.75 |
6.76 |
-8.64 |
-0.85 |
0 |
|
|
336310 |
127255317 |
1 |
O3N4C10H10 |
A3B4C10D10 |
-44.5 |
7.07 |
-8.87 |
-1.26 |
0 |
|
|
336311 |
127255318 |
1 |
O3N5H13C15 |
A3B5C13D15 |
-2.68 |
5.57 |
-8.94 |
-1.54 |
0 |
|
|
336312 |
127255319 |
1 |
N3O5C29H29 |
A3B5C29D29 |
-134.61 |
1.56 |
-8.58 |
-0.99 |
0 |
|
|
336313 |
127255320 |
1 |
N3O4H27C28 |
A3B4C27D28 |
-94.19 |
2.07 |
-8.82 |
-1.02 |
0 |
|
|
336314 |
127255321 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-124.59 |
5.31 |
-8.58 |
-0.7 |
0 |
|
|
336315 |
127255322 |
1 |
O2F3N5C22H28 |
A2B3C5D22E28 |
-189.77 |
9.99 |
-9.84 |
-0.61 |
0 |
|
|
336316 |
127255323 |
1 |
ON4C20H24 |
AB4C20D24 |
11.05 |
3.27 |
-8.32 |
-0.19 |
0 |
|
|
336317 |
127255324 |
2 |
NOC8H10 |
ABC8D10 |
-55.7 |
2.73 |
-8.57 |
-0.12 |
0 |
|
|
336318 |
127255325 |
1 |
O3N4H22C28 |
A3B4C22D28 |
-18.65 |
2.7 |
-8.45 |
-1.0 |
0 |
|
|
336319 |
127255326 |
1 |
OSN5C16H19 |
ABC5D16E19 |
55.15 |
3.13 |
-8.71 |
-1.1 |
0 |
|
|
336320 |
127255327 |
1 |
ON8C13H20 |
AB8C13D20 |
81.03 |
7.62 |
-9.77 |
-0.54 |
0 |
|
|
336321 |
127255328 |
1 |
ClNO6H32C34 |
ABC6D32E34 |
-135.34 |
6.69 |
-8.22 |
-1.25 |
0 |
|
|
336322 |
127255329 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-69.54 |
4.03 |
-7.92 |
0.13 |
0 |
|
|
336323 |
127255330 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-91.02 |
3.67 |
-8.44 |
-0.64 |
0 |
|
|
336324 |
127255331 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-31.34 |
3.43 |
-8.72 |
-0.89 |
0 |
|
|
336325 |
127255332 |
1 |
N4O4C17H18 |
A4B4C17D18 |
-110.14 |
14.34 |
-7.93 |
-0.8 |
0 |
|
|
336326 |
127255333 |
1 |
N3O5H25C28 |
A3B5C25D28 |
-112.88 |
1.29 |
-8.01 |
-1.06 |
0 |
|
|
336327 |
127255334 |
1 |
F2N2O3H12C22 |
A2B2C3D12E22 |
-92.51 |
8.61 |
-8.82 |
-1.59 |
0 |
|
|
336328 |
127255335 |
1 |
BrClN2O3H22C33 |
ABC2D3E22F33 |
17.08 |
2.08 |
-8.69 |
-0.85 |
0 |
|
|
336329 |
127255336 |
1 |
N4O5C15H24 |
A4B5C15D24 |
-230.92 |
5.89 |
-9.64 |
0.18 |
0 |
|
|
336330 |
127255337 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-108.08 |
5.37 |
-9.27 |
-1.11 |
0 |
|
|
336331 |
127255338 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-41.72 |
2.34 |
-8.5 |
-1.78 |
0 |
|
|
336332 |
127255339 |
1 |
ClFNO5H25C35 |
ABCD5E25F35 |
-38.74 |
6.48 |
-8.55 |
-1.39 |
0 |
|
|
336333 |
127255340 |
1 |
SN2O4C16H20 |
AB2C4D16E20 |
-143.61 |
8.97 |
-8.48 |
-1.03 |
0 |
|
|
336334 |
127255341 |
1 |
OSN6C18H22 |
ABC6D18E22 |
63.64 |
4.67 |
-9.11 |
-0.74 |
0 |
|
|
336335 |
127255342 |
1 |
ClFNO5H25C35 |
ABCD5E25F35 |
-38.64 |
8.95 |
-8.43 |
-1.39 |
0 |
|
|
336336 |
127255343 |
1 |
ClN2S2O5H23C28 |
AB2C2D5E23F28 |
-141.51 |
6.27 |
-9.23 |
-1.0 |
0 |
|
|
336337 |
127255344 |
1 |
ON4C23H30 |
AB4C23D30 |
8.06 |
7.28 |
-8.66 |
0.01 |
0 |
|
|
336338 |
127255345 |
1 |
BrON3C19H20 |
ABC3D19E20 |
12.88 |
6.27 |
-8.7 |
-0.43 |
0 |
|
|
336339 |
127255346 |
1 |
ClSN3O3C19H20 |
ABC3D3E19F20 |
-70.82 |
5.35 |
-8.56 |
-0.75 |
0 |
|
|
336340 |
127255347 |
1 |
ON7C19H25 |
AB7C19D25 |
58.55 |
8.79 |
-9.24 |
-0.41 |
0 |
|
|
336341 |
127255348 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-9.66 |
7.14 |
-9.2 |
-0.3 |
0 |
|
|
336342 |
127255349 |
2 |
ON2C6H8 |
AB2C6D8 |
-6.1 |
4.2 |
-8.34 |
-0.76 |
0 |
|
|
336343 |
127255350 |
1 |
FO4N5H16C20 |
AB4C5D16E20 |
-102.57 |
10.38 |
-8.92 |
-1.54 |
0 |
|
|
336344 |
127255351 |
1 |
NO5H21C22 |
AB5C21D22 |
-113.92 |
6.6 |
-8.47 |
-0.63 |
0 |
|
|
336345 |
127255352 |
2 |
ON3C8H13 |
AB3C8D13 |
-19.87 |
9.31 |
-9.83 |
-0.33 |
0 |
|
|
336347 |
127255354 |
1 |
O4N5C23H23 |
A4B5C23D23 |
-64.06 |
2.73 |
-9.11 |
-1.19 |
0 |
|
|
336348 |
127255355 |
1 |
O3N4C18H20 |
A3B4C18D20 |
3.01 |
7.46 |
-9.07 |
-1.04 |
0 |
|
|
336349 |
127255356 |
1 |
N3O5H27C28 |
A3B5C27D28 |
-129.54 |
1.53 |
-8.6 |
-1.05 |
0 |
|
|
336350 |
127255357 |
1 |
ON7C16H21 |
AB7C16D21 |
57.37 |
5.98 |
-9.33 |
-0.57 |
0 |
|
|
336351 |
127255358 |
1 |
F3N3O5H24C26 |
A3B3C5D24E26 |
-291.67 |
6.55 |
-8.8 |
-0.75 |
0 |
|
|
336352 |
127255359 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-36.51 |
1.63 |
-7.98 |
0.09 |
0 |
|
|
336354 |
127255361 |
1 |
N2O4C19H34 |
A2B4C19D34 |
-180.16 |
7.08 |
-9.7 |
-0.05 |
0 |
|
|
336355 |
127255362 |
1 |
P2N7O14C21H27 |
A2B7C14D21E27 |
-627.28 |
11.15 |
-9.28 |
-2.06 |
0 |
|
|
336356 |
127255363 |
1 |
ClON2C11H15 |
ABC2D11E15 |
-47.83 |
2.24 |
-9.2 |
-0.75 |
0 |
|
|
336357 |
127255364 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-92.96 |
5.21 |
-8.93 |
-0.59 |
0 |
|
|
336358 |
127255365 |
1 |
NO2C11H13 |
AB2C11D13 |
-52.92 |
4.09 |
-8.77 |
-0.31 |
0 |
|
|
336359 |
127255366 |
1 |
ClNO2C12H18 |
ABC2D12E18 |
-122.01 |
3.98 |
-8.83 |
-0.34 |
0 |
|
|
336360 |
127255367 |
1 |
NO2C12H17 |
AB2C12D17 |
-86.72 |
4.6 |
-8.7 |
-0.22 |
0 |
|
|
336361 |
127255368 |
1 |
N2O4C17H28 |
A2B4C17D28 |
-197.84 |
5.32 |
-9.71 |
-0.11 |
0 |
|
|
336362 |
127255369 |
1 |
NO14C37H55 |
AB14C37D55 |
-568.19 |
6.71 |
-8.74 |
-0.29 |
0 |
|
|
336363 |
127255370 |
1 |
ClNSO4C11H16 |
ABCD4E11F16 |
-190.08 |
9.04 |
-10.02 |
-0.55 |
0 |
|
|
336364 |
127255371 |
1 |
BClNO2C7H11 |
ABCD2E7F11 |
-178.63 |
4.32 |
-8.56 |
0.18 |
0 |
|
|
336365 |
127255372 |
2 |
NaSO4C14H16 |
ABC4D14E16 |
-392.11 |
14.1 |
-9.38 |
-0.97 |
0 |
|
|
336366 |
127255373 |
1 |
NOCl2F3C9H10 |
ABC2D3E9F10 |
-229.34 |
5.63 |
-9.67 |
-0.93 |
0 |
|
|
336367 |
127255374 |
1 |
NO16C73H137 |
AB16C73D137 |
-959.58 |
3.11 |
-8.88 |
0.29 |
0 |
|
|
336368 |
127255375 |
1 |
NO14C55H101 |
AB14C55D101 |
-770.33 |
4.63 |
-8.86 |
0.69 |
0 |
|
|
336369 |
127255376 |
1 |
NO4C13H15 |
AB4C13D15 |
-137.78 |
2.47 |
-9.6 |
0.0 |
0 |
|
|
336370 |
127255377 |
1 |
O6C11H12 |
A6B11C12 |
-211.19 |
3.83 |
-10.04 |
-1.3 |
0 |
|
|
336371 |
127255378 |
1 |
BrNO3C20H22 |
ABC3D20E22 |
-90.21 |
0.78 |
-9.26 |
-0.26 |
0 |
|
|
336372 |
127255379 |
1 |
Cl2N2O2C15H28 |
A2B2C2D15E28 |
-182.99 |
5.33 |
-8.45 |
-0.29 |
0 |
|
|
336373 |
127255380 |
1 |
KP3N7O17C21H28 |
AB3C7D17E21F28 |
-802.04 |
11.04 |
0.0 |
0.0 |
0 |
|
|
336374 |
127255381 |
1 |
ClS2N3C9H18 |
AB2C3D9E18 |
-3.75 |
2.63 |
-8.66 |
-0.1 |
0 |
|
|
336375 |
127255382 |
1 |
ON3C20H29 |
AB3C20D29 |
-33.42 |
5.3 |
-8.69 |
0.41 |
0 |
|
|
336376 |
127255383 |
1 |
ClN2O6C14H21 |
AB2C6D14E21 |
-193.57 |
4.6 |
-9.35 |
-1.46 |
0 |
|
|
336377 |
127255384 |
1 |
ClNO2C9H10 |
ABC2D9E10 |
-70.96 |
5.63 |
-10.41 |
-1.1 |
0 |
|
|
336378 |
127255385 |
1 |
OCl2N2H4C7 |
AB2C2D4E7 |
19.34 |
5.05 |
-9.58 |
-1.64 |
0 |
|
|
336379 |
127255386 |
1 |
ClNO2C7H14 |
ABC2D7E14 |
-131.48 |
3.02 |
-9.32 |
0.66 |
0 |
|
|
336380 |
127255387 |
1 |
ON4H16C17 |
AB4C16D17 |
58.77 |
3.97 |
-8.35 |
-0.78 |
0 |
|
|
336381 |
127255388 |
2 |
ON3C11H11 |
AB3C11D11 |
60.15 |
5.55 |
-8.44 |
-0.89 |
0 |
|
|
336382 |
127255389 |
2 |
N2O4C14H19 |
A2B4C14D19 |
-349.3 |
5.47 |
-8.6 |
-0.87 |
0 |
|
|
336383 |
127255390 |
1 |
NSO2C4H7 |
ABC2D4E7 |
-73.26 |
4.71 |
-9.09 |
-1.16 |
0 |
|
|
336384 |
127255391 |
1 |
BrN2O3H7C9 |
AB2C3D7E9 |
-51.74 |
7.58 |
-9.49 |
-1.44 |
0 |
|
|
336385 |
127255392 |
1 |
SiO3C11H22 |
AB3C11D22 |
-191.97 |
5.75 |
-9.06 |
-0.53 |
0 |
|
|
336386 |
127255393 |
1 |
SN3O6C27H39 |
AB3C6D27E39 |
-267.79 |
8.26 |
-9.33 |
-0.64 |
0 |
|
|
336387 |
127255394 |
1 |
NSiO2C23H31 |
ABC2D23E31 |
-96.81 |
3.36 |
-8.81 |
-0.33 |
0 |
|
|
336388 |
127255395 |
1 |
BFO2C15H22 |
ABC2D15E22 |
-219.36 |
4.48 |
-9.26 |
0.14 |
0 |
|
|
336389 |
127255396 |
1 |
ClO2N3H18C23 |
AB2C3D18E23 |
56.38 |
4.02 |
-9.01 |
-1.16 |
0 |
|
|
336390 |
127255397 |
1 |
SCl2N3O3C13H21 |
AB2C3D3E13F21 |
-150.62 |
5.39 |
-9.16 |
-0.96 |
0 |
|
|
336391 |
127255398 |
2 |
NO4H12C13 |
AB4C12D13 |
-188.88 |
5.07 |
-9.55 |
-1.62 |
0 |
|
|
336392 |
127255399 |
1 |
BN2O4C10H11 |
AB2C4D10E11 |
-202.68 |
9.69 |
-10.13 |
-0.64 |
0 |
|
|
336393 |
127255400 |
1 |
N2C55H64 |
A2B55C64 |
61.43 |
2.08 |
-7.7 |
-0.37 |
0 |
|
|
336395 |
127255402 |
1 |
BrCl2N4C11H21 |
AB2C4D11E21 |
-43.25 |
7.62 |
-8.93 |
-0.39 |
0 |
|
|
336397 |
127255404 |
4 |
O2C9H13 |
A2B9C13 |
-378.48 |
2.66 |
-9.35 |
0.02 |
0 |
|
|
336398 |
127255405 |
1 |
Na2P2N5O14C15H23 |
A2B2C5D14E15F23 |
-594.45 |
6.29 |
-4.55 |
-0.81 |
0 |
|
|
336399 |
127255406 |
1 |
Na2P3N5C11O12H16 |
A2B3C5D11E12F16 |
-740.96 |
27.64 |
-9.24 |
-1.83 |
0 |
|
|
336400 |
127255407 |
2 |
ClNO2C5H10 |
ABC2D5E10 |
-262.85 |
9.94 |
-10.17 |
-0.02 |
0 |
|
|
336401 |
127255408 |
1 |
NO2C10H19 |
AB2C10D19 |
-105.42 |
2.74 |
-9.65 |
0.75 |
0 |
|
|
336402 |
127255409 |
1 |
NO2C10H19 |
AB2C10D19 |
-114.21 |
3.21 |
-9.66 |
0.94 |
0 |
|
|
336403 |
127255410 |
1 |
NO2C10H19 |
AB2C10D19 |
-114.97 |
2.59 |
-9.63 |
0.79 |
0 |
|
|
336404 |
127255411 |
1 |
NO3C9H17 |
AB3C9D17 |
-138.56 |
0.95 |
-9.92 |
0.68 |
0 |
|
|
336405 |
127255412 |
1 |
NO3C9H17 |
AB3C9D17 |
-139.9 |
3.03 |
-9.78 |
0.52 |
0 |
|
|
336406 |
127255413 |
1 |
NO2C10H19 |
AB2C10D19 |
-110.57 |
2.65 |
-9.64 |
0.62 |
0 |
|
|
336407 |
127255414 |
1 |
NO2C10H17 |
AB2C10D17 |
-79.66 |
1.67 |
-9.78 |
0.9 |
0 |
|
|
336408 |
127255415 |
1 |
BN2O4C11H13 |
AB2C4D11E13 |
-193.77 |
4.04 |
-9.26 |
-1.05 |
0 |
|
|
336409 |
127255416 |
1 |
ClON2C7H17 |
ABC2D7E17 |
-78.97 |
1.31 |
-8.85 |
1.96 |
0 |