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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157989 |
56459378 |
1 |
N3O5C21H27 |
A3B5C21D27 |
-212.7 |
7.06 |
-8.49 |
0.08 |
0 |
|
|
157990 |
56459379 |
1 |
N2O2C23H30 |
A2B2C23D30 |
-56.89 |
2.42 |
-8.89 |
-0.14 |
0 |
|
|
157991 |
56459380 |
1 |
OF2N3C20H21 |
AB2C3D20E21 |
-90.8 |
3.31 |
-9.57 |
-0.97 |
0 |
|
|
157992 |
56459381 |
1 |
O2N5C24H29 |
A2B5C24D29 |
9.58 |
4.82 |
-8.71 |
-0.92 |
0 |
|
|
157993 |
56459382 |
1 |
O3N4C25H34 |
A3B4C25D34 |
-80.71 |
5.78 |
-8.78 |
-0.07 |
0 |
|
|
157994 |
56459383 |
1 |
Cl2O2N4C19H22 |
A2B2C4D19E22 |
-44.46 |
4.74 |
-8.74 |
-0.56 |
0 |
|
|
157995 |
56459384 |
1 |
OCl2F2N5H13C16 |
AB2C2D5E13F16 |
-77.77 |
2.72 |
-8.96 |
-1.23 |
0 |
|
|
157996 |
56459385 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-99.63 |
8.9 |
-8.84 |
-0.38 |
0 |
|
|
157997 |
56459386 |
2 |
ON2C14H17 |
AB2C14D17 |
-42.63 |
4.3 |
-9.09 |
-0.44 |
0 |
|
|
157998 |
56459387 |
1 |
N3O3C24H29 |
A3B3C24D29 |
-117.29 |
4.55 |
-8.77 |
-0.22 |
0 |
|
|
157999 |
56459388 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-101.99 |
5.01 |
-8.67 |
-0.51 |
0 |
|
|
158000 |
56459389 |
1 |
OF2N4C22H24 |
AB2C4D22E24 |
-82.35 |
2.06 |
-8.64 |
-1.15 |
0 |
|
|
158001 |
56459390 |
1 |
OSCl2N3C19H23 |
ABC2D3E19F23 |
-22.76 |
1.93 |
-8.86 |
-0.43 |
0 |
|
|
158002 |
56459391 |
1 |
ClN3O3C23H26 |
AB3C3D23E26 |
-114.12 |
9.83 |
-8.88 |
-0.49 |
0 |
|
|
158003 |
56459392 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-51.09 |
7.86 |
-8.75 |
-0.19 |
0 |
|
|
158004 |
56459394 |
1 |
FN2O3C24H29 |
AB2C3D24E29 |
-136.02 |
2.91 |
-9.06 |
-0.48 |
0 |
|
|
158005 |
56459395 |
1 |
SO2N4C26H36 |
AB2C4D26E36 |
-74.22 |
6.77 |
-8.9 |
-0.36 |
0 |
|
|
158006 |
56459396 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-183.63 |
4.28 |
-9.03 |
-0.25 |
0 |
|
|
158007 |
56459397 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-170.24 |
8.66 |
-9.18 |
-0.37 |
0 |
|
|
158008 |
56459398 |
1 |
N3O3C28H35 |
A3B3C28D35 |
-113.49 |
7.37 |
-8.89 |
-0.12 |
0 |
|
|
158009 |
56459399 |
2 |
N2O2C11H18 |
A2B2C11D18 |
-215.74 |
5.75 |
-9.04 |
0.22 |
0 |
|
|
158010 |
56459400 |
1 |
SO2N4C23H32 |
AB2C4D23E32 |
-46.65 |
3.82 |
-8.55 |
-0.2 |
0 |
|
|
158011 |
56459401 |
1 |
O2F3N3H20C21 |
A2B3C3D20E21 |
-169.32 |
1.38 |
-9.69 |
-1.15 |
0 |
|
|
158012 |
56459402 |
1 |
FN3O4C27H36 |
AB3C4D27E36 |
-218.35 |
1.33 |
-9.28 |
-0.29 |
0 |
|
|
158013 |
56459403 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-109.33 |
5.26 |
-8.91 |
-0.32 |
0 |
|
|
158014 |
56459404 |
3 |
ON2C7H10 |
AB2C7D10 |
-99.7 |
1.18 |
-9.12 |
-0.24 |
0 |
|
|
158015 |
56459405 |
1 |
O2N3C28H35 |
A2B3C28D35 |
-61.36 |
5.17 |
-8.62 |
-0.27 |
0 |
|
|
158016 |
56459406 |
1 |
SO3N4C24H34 |
AB3C4D24E34 |
-81.92 |
3.18 |
-8.65 |
-0.22 |
0 |
|
|
158017 |
56459407 |
1 |
BrN2O2C23H27 |
AB2C2D23E27 |
-66.8 |
5.81 |
-9.36 |
-0.11 |
0 |
|
|
158018 |
56459408 |
1 |
BrN2O2C20H23 |
AB2C2D20E23 |
-41.44 |
5.09 |
-9.01 |
-0.46 |
0 |
|
|
158019 |
56459409 |
1 |
ClN4O4C21H21 |
AB4C4D21E21 |
-101.84 |
4.84 |
-8.95 |
-1.05 |
0 |
|
|
158020 |
56459410 |
1 |
BrOSN3C18H22 |
ABCD3E18F22 |
1.14 |
4.18 |
-8.93 |
-0.36 |
0 |
|
|
158021 |
56459411 |
1 |
F2O2N4C21H28 |
A2B2C4D21E28 |
-174.4 |
5.39 |
-9.42 |
-0.77 |
0 |
|
|
158022 |
56459412 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-47.1 |
3.17 |
-8.27 |
-0.72 |
0 |
|
|
158023 |
56459413 |
1 |
SO4N5C22H31 |
AB4C5D22E31 |
-48.85 |
7.9 |
-8.72 |
-1.22 |
0 |
|
|
158024 |
56459414 |
1 |
SO4N5C20H33 |
AB4C5D20E33 |
-82.99 |
7.2 |
-8.72 |
-1.06 |
0 |
|
|
158025 |
56459415 |
1 |
ClN3C20H22 |
AB3C20D22 |
54.46 |
10.08 |
-8.66 |
-0.34 |
0 |
|
|
158026 |
56459416 |
1 |
O2N6C21H22 |
A2B6C21D22 |
51.33 |
5.99 |
-8.2 |
-0.49 |
0 |
|
|
158027 |
56459417 |
1 |
ClN4H15C18 |
AB4C15D18 |
117.26 |
5.92 |
-8.88 |
-0.76 |
0 |
|
|
158028 |
56459418 |
1 |
O2N5C23H29 |
A2B5C23D29 |
-10.46 |
2.58 |
-8.32 |
-0.49 |
0 |
|
|
158029 |
56459419 |
1 |
FO3N4C19H21 |
AB3C4D19E21 |
-76.64 |
3.06 |
-8.05 |
-0.39 |
0 |
|
|
158030 |
56459420 |
1 |
ClFON2H14C16 |
ABCD2E14F16 |
-12.03 |
7.25 |
-8.88 |
-0.65 |
0 |
|
|
158031 |
56459421 |
1 |
O3N6C22H32 |
A3B6C22D32 |
-74.03 |
2.37 |
-8.17 |
-0.4 |
0 |
|
|
158032 |
56459422 |
1 |
FO3N5C22H24 |
AB3C5D22E24 |
-72.97 |
8.3 |
-8.29 |
-0.64 |
0 |
|
|
158033 |
56459423 |
1 |
BrSN2O3C18H19 |
ABC2D3E18F19 |
-80.67 |
6.28 |
-8.98 |
-0.67 |
0 |
|
|
158034 |
56459424 |
2 |
OSN2C10H11 |
ABC2D10E11 |
-17.29 |
5.64 |
-8.54 |
-0.68 |
0 |
|
|
158035 |
56459425 |
1 |
SN2O3C23H26 |
AB2C3D23E26 |
-101.37 |
6.31 |
-8.89 |
-0.66 |
0 |
|
|
158036 |
56459426 |
1 |
ClSN2O4C21H25 |
ABC2D4E21F25 |
-136.93 |
8.1 |
-8.63 |
-0.7 |
0 |
|
|
158037 |
56459427 |
1 |
ClON6H19C21 |
ABC6D19E21 |
78.04 |
2.78 |
-9.44 |
-0.79 |
0 |
|
|
158038 |
56459428 |
1 |
SO3N5C21H23 |
AB3C5D21E23 |
-8.88 |
4.45 |
-9.58 |
-0.78 |
0 |
|
|
158039 |
56459429 |
1 |
O2F3N5H16C18 |
A2B3C5D16E18 |
-156.66 |
2.83 |
-9.55 |
-1.25 |
0 |
|
|
158040 |
56459430 |
1 |
O2N5H21C25 |
A2B5C21D25 |
42.07 |
6.58 |
-8.58 |
-0.68 |
0 |
|
|
158041 |
56459431 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-29.97 |
8.44 |
-9.32 |
-0.14 |
0 |
|
|
158042 |
56459432 |
1 |
O2N6H20C21 |
A2B6C20D21 |
15.72 |
11.2 |
-8.93 |
-0.36 |
0 |
|
|
158043 |
56459433 |
1 |
SN5O5C24H27 |
AB5C5D24E27 |
-114.45 |
9.15 |
-9.5 |
-0.96 |
0 |
|
|
158044 |
56459434 |
1 |
SN4O4C22H32 |
AB4C4D22E32 |
-151.8 |
7.15 |
-9.05 |
-0.95 |
0 |
|
|
158045 |
56459435 |
1 |
SO3N5C22H33 |
AB3C5D22E33 |
-94.14 |
8.71 |
-9.01 |
-0.52 |
0 |
|
|
158046 |
56459436 |
1 |
SN3O3C22H27 |
AB3C3D22E27 |
-77.94 |
9.92 |
-8.84 |
-0.89 |
0 |
|
|
158047 |
56459437 |
1 |
SN5O5C18H23 |
AB5C5D18E23 |
-157.98 |
6.44 |
-9.12 |
-0.75 |
0 |
|
|
158048 |
56459438 |
1 |
BrO2N6H15C16 |
AB2C6D15E16 |
13.08 |
4.38 |
-8.81 |
-0.87 |
0 |
|
|
158049 |
56459439 |
1 |
SO3N6C18H20 |
AB3C6D18E20 |
-77.74 |
2.71 |
-8.55 |
-1.15 |
0 |
|
|
158050 |
56459440 |
1 |
N5O5H19C22 |
A5B5C19D22 |
-109.31 |
5.28 |
-8.48 |
-1.72 |
0 |
|
|
158051 |
56459441 |
1 |
FSO4N5C17H20 |
ABC4D5E17F20 |
-159.11 |
7.13 |
-9.13 |
-0.94 |
0 |
|
|
158052 |
56459442 |
1 |
SO4N5C19H25 |
AB4C5D19E25 |
-125.01 |
7.21 |
-9.09 |
-0.51 |
0 |
|
|
158053 |
56459443 |
1 |
ClSN4O5C21H21 |
ABC4D5E21F21 |
-171.71 |
9.63 |
-8.74 |
-0.98 |
0 |
|
|
158054 |
56459444 |
1 |
ClO3N5C26H26 |
AB3C5D26E26 |
-54.34 |
10.11 |
-8.89 |
-0.74 |
0 |
|
|
158055 |
56459445 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-130.81 |
5.31 |
-9.18 |
-0.68 |
0 |
|
|
158056 |
56459446 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-48.22 |
6.64 |
-8.35 |
0.05 |
0 |
|
|
158057 |
56459447 |
3 |
NOC8H11 |
ABC8D11 |
-126.16 |
3.1 |
-9.18 |
0.08 |
0 |
|
|
158058 |
56459448 |
1 |
OSN3C23H35 |
ABC3D23E35 |
-61.55 |
2.8 |
-8.7 |
-0.14 |
0 |
|
|
158059 |
56459449 |
1 |
NSO3C18H29 |
ABC3D18E29 |
-179.17 |
4.96 |
-9.27 |
-0.4 |
0 |
|
|
158060 |
56459450 |
1 |
F3N4O5C19H25 |
A3B4C5D19E25 |
-293.96 |
7.92 |
-9.33 |
-1.22 |
0 |
|
|
158061 |
56459451 |
2 |
NO2C12H14 |
AB2C12D14 |
-136.12 |
1.66 |
-8.47 |
-0.11 |
0 |
|
|
158062 |
56459452 |
1 |
ClO2N3C27H34 |
AB2C3D27E34 |
-80.77 |
4.62 |
-8.83 |
-0.09 |
0 |
|
|
158063 |
56459453 |
1 |
ClO3N4C25H29 |
AB3C4D25E29 |
-62.13 |
3.45 |
-8.96 |
-0.77 |
0 |
|
|
158064 |
56459454 |
1 |
N2O2F3H13C16 |
A2B2C3D13E16 |
-168.72 |
4.81 |
-8.76 |
-1.03 |
0 |
|
|
158065 |
56459455 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-75.65 |
2.14 |
-8.35 |
0.17 |
0 |
|
|
158066 |
56459456 |
1 |
ClO2N3C25H32 |
AB2C3D25E32 |
-66.23 |
6.09 |
-9.07 |
0.0 |
0 |
|
|
158067 |
56459457 |
1 |
ClO2N3C22H28 |
AB2C3D22E28 |
-45.32 |
2.75 |
-8.93 |
-0.28 |
0 |
|
|
158068 |
56462765 |
1 |
N2O3C25H32 |
A2B3C25D32 |
-118.68 |
4.99 |
-8.83 |
-0.04 |
0 |
|
|
158069 |
56462767 |
1 |
N3O3C26H33 |
A3B3C26D33 |
-130.9 |
7.66 |
-8.92 |
-0.27 |
0 |
|
|
158070 |
56462768 |
1 |
N2F3O3C22H23 |
A2B3C3D22E23 |
-263.26 |
3.19 |
-9.52 |
-0.63 |
0 |
|
|
158071 |
56462769 |
1 |
N3O4C24H29 |
A3B4C24D29 |
-143.55 |
6.3 |
-8.21 |
-0.14 |
0 |
|
|
158072 |
56462770 |
1 |
SO2N5C27H33 |
AB2C5D27E33 |
-37.27 |
4.05 |
-8.6 |
-0.85 |
0 |
|
|
158073 |
56462774 |
1 |
F2S2O3N5H17C20 |
A2B2C3D5E17F20 |
-97.91 |
7.79 |
-9.37 |
-1.46 |
0 |
|
|
158074 |
56462776 |
1 |
O2F3N3C22H22 |
A2B3C3D22E22 |
-190.96 |
7.52 |
-8.94 |
-0.96 |
0 |
|
|
158075 |
56462778 |
1 |
O4N5H23C26 |
A4B5C23D26 |
-15.83 |
6.61 |
-9.0 |
-1.04 |
0 |
|
|
158076 |
56462779 |
1 |
ClN3O3C27H34 |
AB3C3D27E34 |
-107.89 |
6.31 |
-8.97 |
-0.14 |
0 |
|
|
158077 |
56462781 |
1 |
F2O2N4H16C23 |
A2B2C4D16E23 |
-49.71 |
4.13 |
-8.91 |
-1.28 |
0 |
|
|
158078 |
56462784 |
1 |
OSF3N5H14C19 |
ABC3D5E14F19 |
-78.92 |
5.57 |
-8.93 |
-1.36 |
0 |
|
|
158079 |
56462787 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-110.57 |
4.95 |
-9.41 |
0.02 |
0 |
|
|
158080 |
56462788 |
1 |
O2N5C24H27 |
A2B5C24D27 |
-2.25 |
1.73 |
-9.03 |
-0.53 |
0 |
|
|
158081 |
56462791 |
1 |
FS2O3N4H15C19 |
AB2C3D4E15F19 |
-86.17 |
4.74 |
-9.0 |
-1.21 |
0 |
|
|
158082 |
56462795 |
1 |
ON5H29C30 |
AB5C29D30 |
94.19 |
3.38 |
-9.36 |
-0.34 |
0 |
|
|
158083 |
56462796 |
1 |
SO2N5H25C28 |
AB2C5D25E28 |
33.24 |
6.16 |
-9.06 |
-1.3 |
0 |
|
|
158084 |
56462798 |
1 |
N4O6H16C21 |
A4B6C16D21 |
-93.78 |
12.12 |
-9.31 |
-1.15 |
0 |
|
|
158085 |
56462800 |
1 |
ClN3O3H18C20 |
AB3C3D18E20 |
-35.58 |
5.45 |
-9.52 |
-1.5 |
0 |
|
|
158086 |
56462801 |
1 |
SN3O3C18H19 |
AB3C3D18E19 |
-38.48 |
7.44 |
-9.34 |
-1.42 |
0 |
|
|
158087 |
56462803 |
1 |
S2N4O5H16C17 |
A2B4C5D16E17 |
-83.74 |
4.47 |
-9.58 |
-1.69 |
0 |
|
|
158088 |
56462808 |
1 |
N2S2O4C21H22 |
A2B2C4D21E22 |
-80.97 |
4.14 |
-9.17 |
-0.57 |
0 |