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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
124363 |
50880520 |
1 |
BrNO2C14H14 |
ABC2D14E14 |
-2.69 |
0.37 |
-8.8 |
-0.92 |
0 |
|
|
124364 |
50880521 |
1 |
BrNOH12C14 |
ABCD12E14 |
30.39 |
3.83 |
-9.24 |
-1.15 |
0 |
|
|
124365 |
50880600 |
1 |
SO2N4C23H28 |
AB2C4D23E28 |
-25.23 |
4.59 |
-8.33 |
-0.4 |
0 |
|
|
124366 |
50880601 |
2 |
NOC9H11 |
ABC9D11 |
-62.13 |
4.15 |
-8.22 |
-0.11 |
0 |
|
|
124367 |
50880602 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-71.26 |
3.66 |
-8.16 |
-0.07 |
0 |
|
|
124368 |
50880603 |
2 |
NOC9H11 |
ABC9D11 |
-67.37 |
3.92 |
-8.1 |
-0.15 |
0 |
|
|
124369 |
50880723 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-33.35 |
3.43 |
-8.22 |
-0.48 |
0 |
|
|
124370 |
50880771 |
1 |
OBr2Cl2N2H12C15 |
AB2C2D2E12F15 |
-27.64 |
3.1 |
-8.55 |
-0.97 |
0 |
|
|
124371 |
50880786 |
2 |
BrNOC7H7 |
ABCD7E7 |
-44.5 |
2.81 |
-8.63 |
-0.43 |
0 |
|
|
124372 |
50880787 |
1 |
Br2N2O2C17H18 |
A2B2C2D17E18 |
-56.53 |
3.45 |
-8.41 |
-0.28 |
0 |
|
|
124373 |
50880902 |
1 |
BrN2O4H15C16 |
AB2C4D15E16 |
-47.83 |
6.47 |
-9.58 |
-1.43 |
0 |
|
|
124374 |
50880903 |
2 |
ClNO2H7C8 |
ABC2D7E8 |
-67.96 |
6.89 |
-9.65 |
-1.41 |
0 |
|
|
124375 |
50880904 |
1 |
Cl2N2O4H16C17 |
A2B2C4D16E17 |
-71.36 |
7.58 |
-9.62 |
-1.38 |
0 |
|
|
124376 |
50880905 |
1 |
ClSO2N4C23H27 |
ABC2D4E23F27 |
-31.9 |
5.0 |
-8.5 |
-0.47 |
0 |
|
|
124377 |
50880957 |
1 |
Br2N2O4H16C17 |
A2B2C4D16E17 |
-50.71 |
6.94 |
-9.68 |
-1.38 |
0 |
|
|
124378 |
50880980 |
1 |
ClN2O2C17H19 |
AB2C2D17E19 |
-69.52 |
2.22 |
-8.38 |
-0.21 |
0 |
|
|
124379 |
50881046 |
1 |
BrN2O4C17H17 |
AB2C4D17E17 |
-53.36 |
6.81 |
-9.62 |
-1.4 |
0 |
|
|
124380 |
50881109 |
1 |
ON2Cl3H9C13 |
AB2C3D9E13 |
-19.83 |
3.44 |
-8.5 |
-0.85 |
0 |
|
|
124381 |
50881110 |
1 |
OCl2N2H14C15 |
AB2C2D14E15 |
-24.88 |
4.02 |
-8.37 |
-0.5 |
0 |
|
|
124382 |
50881111 |
1 |
ClON3C15H22 |
ABC3D15E22 |
-56.35 |
0.66 |
-8.04 |
-0.09 |
0 |
|
|
124383 |
50881112 |
1 |
ClON3C13H20 |
ABC3D13E20 |
-54.51 |
1.22 |
-8.05 |
-0.08 |
0 |
|
|
124384 |
50881113 |
1 |
ClON3C11H16 |
ABC3D11E16 |
-41.46 |
1.49 |
-8.07 |
-0.1 |
0 |
|
|
124385 |
50881114 |
1 |
ClON3C13H18 |
ABC3D13E18 |
-46.28 |
0.95 |
-8.05 |
-0.07 |
0 |
|
|
124386 |
50881115 |
1 |
ClON3C14H22 |
ABC3D14E22 |
-59.37 |
1.92 |
-8.07 |
-0.08 |
0 |
|
|
124387 |
50881116 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-51.81 |
1.12 |
-8.03 |
-0.07 |
0 |
|
|
124388 |
50881117 |
1 |
ClON3C15H22 |
ABC3D15E22 |
-55.26 |
1.27 |
-8.06 |
-0.1 |
0 |
|
|
124389 |
50881118 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-46.53 |
3.01 |
-8.12 |
-0.32 |
0 |
|
|
124390 |
50881119 |
1 |
ClO2N3C18H20 |
AB2C3D18E20 |
-52.5 |
3.65 |
-8.16 |
-0.41 |
0 |
|
|
124391 |
50881120 |
1 |
OCl2N2C16H16 |
AB2C2D16E16 |
-29.89 |
3.78 |
-8.37 |
-0.48 |
0 |
|
|
124392 |
50881121 |
1 |
OCl2N2C17H18 |
AB2C2D17E18 |
-34.95 |
4.08 |
-8.35 |
-0.45 |
0 |
|
|
124393 |
50881153 |
1 |
ClN3O4C18H18 |
AB3C4D18E18 |
-53.14 |
7.9 |
-9.15 |
-1.18 |
0 |
|
|
124394 |
50881255 |
1 |
ClN3C10H14 |
AB3C10D14 |
7.76 |
3.43 |
-7.82 |
0.05 |
0 |
|
|
124395 |
50881543 |
1 |
ClFO3N4C19H20 |
ABC3D4E19F20 |
-53.01 |
6.89 |
-8.79 |
-1.3 |
0 |
|
|
124396 |
50881646 |
1 |
ClON4C22H29 |
ABC4D22E29 |
-18.48 |
3.41 |
-8.32 |
-0.35 |
0 |
|
|
124397 |
50881738 |
1 |
ClN3O5C18H18 |
AB3C5D18E18 |
-87.17 |
9.45 |
-9.05 |
-1.16 |
0 |
|
|
124398 |
50881739 |
1 |
ON4H14C17 |
AB4C14D17 |
80.76 |
10.06 |
-9.31 |
-1.38 |
0 |
|
|
124399 |
50881740 |
1 |
ON4H14C17 |
AB4C14D17 |
79.79 |
9.07 |
-9.46 |
-1.43 |
0 |
|
|
124400 |
50881772 |
1 |
ClO2N3C16H18 |
AB2C3D16E18 |
-43.79 |
2.45 |
-8.04 |
-0.31 |
0 |
|
|
124401 |
50881791 |
1 |
ClO2N3C16H18 |
AB2C3D16E18 |
-41.56 |
1.73 |
-8.16 |
-0.23 |
0 |
|
|
124402 |
50881802 |
1 |
BrON4H11C16 |
ABC4D11E16 |
95.37 |
7.21 |
-9.76 |
-1.34 |
0 |
|
|
124403 |
50881911 |
2 |
ClNOC8H8 |
ABCD8E8 |
-66.03 |
3.34 |
-8.48 |
-0.55 |
0 |
|
|
124404 |
50881999 |
1 |
OSN4H16C17 |
ABC4D16E17 |
50.22 |
1.68 |
-8.23 |
-0.54 |
0 |
|
|
124405 |
50882004 |
1 |
OSCl2N3H11C14 |
ABC2D3E11F14 |
-1.32 |
5.27 |
-8.76 |
-1.35 |
0 |
|
|
124406 |
50882067 |
1 |
ClO2N4H9C13 |
AB2C4D9E13 |
29.67 |
9.32 |
-9.4 |
-1.38 |
0 |
|
|
124407 |
50882068 |
2 |
ON2H7C9 |
AB2C7D9 |
45.52 |
10.79 |
-9.17 |
-1.35 |
0 |
|
|
124408 |
50882069 |
1 |
ClOSN4H15C17 |
ABCD4E15F17 |
41.08 |
2.72 |
-8.32 |
-0.78 |
0 |
|
|
124409 |
50882070 |
1 |
ClOSN4H11C14 |
ABCD4E11F14 |
42.77 |
3.89 |
-8.65 |
-1.02 |
0 |
|
|
124410 |
50882071 |
1 |
ClOSN4H15C19 |
ABCD4E15F19 |
56.97 |
3.28 |
-8.63 |
-1.06 |
0 |
|
|
124411 |
50882072 |
1 |
OSN4C23H24 |
ABC4D23E24 |
40.69 |
5.4 |
-8.47 |
-0.85 |
0 |
|
|
124412 |
50882073 |
1 |
OSN4C21H24 |
ABC4D21E24 |
25.47 |
1.8 |
-8.17 |
-0.46 |
0 |
|
|
124413 |
50882076 |
1 |
ClOSN4C15H15 |
ABCD4E15F15 |
19.17 |
4.42 |
-8.64 |
-1.19 |
0 |
|
|
124414 |
50882109 |
1 |
OSN4C19H20 |
ABC4D19E20 |
34.1 |
4.6 |
-8.3 |
-0.43 |
0 |
|
|
124415 |
50882141 |
1 |
BrN2O2C12H17 |
AB2C2D12E17 |
-58.45 |
2.88 |
-9.54 |
-0.77 |
0 |
|
|
124416 |
50882603 |
1 |
NO2C16H23 |
AB2C16D23 |
-89.8 |
3.87 |
-8.77 |
-0.02 |
0 |
|
|
124417 |
50882634 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-73.08 |
3.26 |
-8.65 |
-0.51 |
0 |
|
|
124418 |
50882708 |
1 |
BrClOSN5C22H23 |
ABCDE5F22G23 |
47.59 |
3.78 |
-8.48 |
-0.78 |
0 |
|
|
124419 |
50882757 |
1 |
ClON5C21H22 |
ABC5D21E22 |
53.94 |
8.67 |
-9.22 |
-1.1 |
0 |
|
|
124420 |
50882764 |
1 |
ClOSN5C24H24 |
ABCD5E24F24 |
54.83 |
5.6 |
-8.44 |
-1.2 |
0 |
|
|
124421 |
50882889 |
1 |
ClOSN5C16H22 |
ABCD5E16F22 |
2.21 |
3.73 |
-8.46 |
-0.98 |
0 |
|
|
124422 |
50882976 |
1 |
NO6C11H13 |
AB6C11D13 |
-144.08 |
7.11 |
-9.6 |
-1.44 |
0 |
|
|
124423 |
50882983 |
1 |
N2O4H8C9 |
A2B4C8D9 |
-20.52 |
3.16 |
-9.37 |
-1.83 |
0 |
|
|
124424 |
50883030 |
1 |
ClO4C11H11 |
AB4C11D11 |
-170.23 |
2.18 |
-9.59 |
-1.1 |
0 |
|
|
124425 |
50883031 |
1 |
BrO4C11H11 |
AB4C11D11 |
-156.53 |
4.29 |
-9.9 |
-1.15 |
0 |
|
|
124426 |
50883032 |
1 |
BrO4H9C10 |
AB4C9D10 |
-153.57 |
1.74 |
-9.68 |
-1.11 |
0 |
|
|
124427 |
50883033 |
1 |
BrO4C13H15 |
AB4C13D15 |
-168.9 |
1.59 |
-9.66 |
-1.02 |
0 |
|
|
124428 |
50883034 |
1 |
BrO3C12H15 |
AB3C12D15 |
-122.63 |
2.7 |
-8.94 |
-0.38 |
0 |
|
|
124429 |
50883035 |
1 |
ClO3C12H15 |
AB3C12D15 |
-132.61 |
3.53 |
-9.29 |
-0.59 |
0 |
|
|
124430 |
50883036 |
1 |
ClO3C11H13 |
AB3C11D13 |
-124.39 |
3.56 |
-9.33 |
-0.64 |
0 |
|
|
124431 |
50883150 |
1 |
ClO3C12H15 |
AB3C12D15 |
-132.69 |
2.08 |
-8.95 |
-0.49 |
0 |
|
|
124432 |
50883151 |
1 |
NO5C12H15 |
AB5C12D15 |
-129.28 |
6.71 |
-9.75 |
-1.18 |
0 |
|
|
124433 |
50883152 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-5.74 |
6.32 |
-9.98 |
-1.43 |
0 |
|
|
124434 |
50883195 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-71.63 |
7.75 |
-9.02 |
-1.32 |
0 |
|
|
124435 |
50883196 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-86.51 |
5.12 |
-8.75 |
-1.21 |
0 |
|
|
124436 |
50883246 |
1 |
NOH17C21 |
ABC17D21 |
48.66 |
1.03 |
-9.01 |
-0.82 |
0 |
|
|
124437 |
50883288 |
1 |
NOH13C15 |
ABC13D15 |
34.96 |
2.81 |
-9.25 |
-0.63 |
0 |
|
|
124438 |
50883582 |
1 |
ClN2O5C23H23 |
AB2C5D23E23 |
-123.2 |
8.4 |
-8.66 |
-1.26 |
0 |
|
|
124439 |
50883583 |
1 |
N3O5H13C18 |
A3B5C13D18 |
-20.61 |
6.05 |
-8.67 |
-1.53 |
0 |
|
|
124440 |
50883629 |
1 |
BrClO3H18C23 |
ABC3D18E23 |
-24.87 |
2.37 |
-8.81 |
-0.99 |
0 |
|
|
124441 |
50883698 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-15.83 |
2.7 |
-8.08 |
-1.12 |
0 |
|
|
124442 |
50883810 |
1 |
N2O5H14C21 |
A2B5C14D21 |
-80.44 |
9.29 |
-9.84 |
-2.36 |
0 |
|
|
124443 |
50883836 |
1 |
ClOSN2H11C15 |
ABCD2E11F15 |
34.38 |
1.47 |
-8.4 |
-1.29 |
0 |
|
|
124444 |
50883861 |
1 |
ClN2O2H17C18 |
AB2C2D17E18 |
47.75 |
1.77 |
-8.16 |
-0.53 |
0 |
|
|
124445 |
50883888 |
1 |
BrN3O5H12C19 |
AB3C5D12E19 |
-5.97 |
8.08 |
-9.96 |
-2.45 |
0 |
|
|
124446 |
50883964 |
1 |
ClN3O3H18C20 |
AB3C3D18E20 |
39.21 |
5.98 |
-8.47 |
-1.06 |
0 |
|
|
124447 |
50883981 |
1 |
N3O4C16H17 |
A3B4C16D17 |
7.74 |
4.87 |
-8.79 |
-1.14 |
0 |
|
|
124448 |
50883993 |
1 |
ClN2O4H13C18 |
AB2C4D13E18 |
-76.47 |
9.23 |
-9.09 |
-1.79 |
0 |
|
|
124449 |
50883994 |
1 |
N3O4H11C17 |
A3B4C11D17 |
-47.69 |
1.6 |
-9.52 |
-2.05 |
0 |
|
|
124450 |
50883995 |
1 |
Cl2N2O5H20C22 |
A2B2C5D20E22 |
-129.66 |
9.86 |
-8.99 |
-1.49 |
0 |
|
|
124451 |
50884009 |
1 |
SO3N4H12C15 |
AB3C4D12E15 |
-8.99 |
1.87 |
-8.95 |
-1.85 |
0 |
|
|
124452 |
50884015 |
1 |
SCl2N3O4H15C21 |
AB2C3D4E15F21 |
-39.55 |
11.18 |
-9.09 |
-2.01 |
0 |
|
|
124453 |
50884016 |
1 |
SN3O6H19C29 |
AB3C6D19E29 |
-60.79 |
10.03 |
-9.15 |
-2.21 |
0 |
|
|
124454 |
50884077 |
2 |
NOCl2H6C11 |
ABC2D6E11 |
53.36 |
1.48 |
-9.05 |
-1.22 |
0 |
|
|
124455 |
50884202 |
1 |
N2O5H22C25 |
A2B5C22D25 |
-93.18 |
7.1 |
-9.49 |
-2.19 |
0 |
|
|
124456 |
50884683 |
1 |
BrN2O5C18H21 |
AB2C5D18E21 |
-170.91 |
3.86 |
-8.77 |
-1.38 |
0 |
|
|
124457 |
50884684 |
1 |
BrNO3C19H22 |
ABC3D19E22 |
-57.65 |
2.21 |
-8.34 |
-0.72 |
0 |
|
|
124458 |
50884685 |
1 |
ClN2O4H23C26 |
AB2C4D23E26 |
-58.08 |
6.06 |
-8.62 |
-1.74 |
0 |
|
|
124459 |
50884686 |
2 |
NOH5C7 |
ABC5D7 |
90.04 |
7.0 |
-9.0 |
-1.0 |
0 |
|
|
124460 |
50884687 |
1 |
BrN2O5H13C14 |
AB2C5D13E14 |
-162.28 |
5.09 |
-8.85 |
-1.6 |
0 |
|
|
124461 |
50884688 |
1 |
ClN4O5H33C36 |
AB4C5D33E36 |
-67.34 |
3.93 |
-8.79 |
-0.87 |
0 |
|
|
124462 |
50884689 |
1 |
BrN2O3C20H23 |
AB2C3D20E23 |
-67.73 |
7.87 |
-8.42 |
-0.67 |
0 |