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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
123963 |
50868002 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-46.87 |
8.61 |
-8.09 |
-0.73 |
0 |
|
|
123964 |
50868003 |
1 |
ClO2N3C25H26 |
AB2C3D25E26 |
-18.26 |
10.3 |
-8.31 |
-0.92 |
0 |
|
|
123965 |
50868004 |
1 |
N3O5C27H29 |
A3B5C27D29 |
-156.35 |
10.68 |
-8.32 |
-1.0 |
0 |
|
|
123966 |
50868005 |
1 |
ClN3O4C26H26 |
AB3C4D26E26 |
-126.11 |
11.67 |
-8.43 |
-1.15 |
0 |
|
|
123967 |
50868006 |
1 |
O2N3C26H29 |
A2B3C26D29 |
-12.01 |
8.43 |
-8.16 |
-0.65 |
0 |
|
|
123968 |
50868117 |
1 |
OSN3C27H31 |
ABC3D27E31 |
15.64 |
2.39 |
-7.69 |
-0.7 |
0 |
|
|
123969 |
50868176 |
1 |
SO2N4C32H40 |
AB2C4D32E40 |
-23.25 |
6.54 |
-7.88 |
-0.84 |
0 |
|
|
123970 |
50868177 |
1 |
N4C25H26 |
A4B25C26 |
97.58 |
4.76 |
-7.95 |
-0.91 |
0 |
|
|
123971 |
50868306 |
1 |
ON2C23H28 |
AB2C23D28 |
12.49 |
3.76 |
-7.66 |
-0.18 |
0 |
|
|
123972 |
50868307 |
1 |
ON4C19H24 |
AB4C19D24 |
21.99 |
7.84 |
-8.03 |
-0.46 |
0 |
|
|
123973 |
50868308 |
1 |
ON4C29H32 |
AB4C29D32 |
38.83 |
6.74 |
-8.07 |
-0.81 |
0 |
|
|
123974 |
50868309 |
1 |
O2N3C25H31 |
A2B3C25D31 |
-27.08 |
7.93 |
-7.77 |
-0.18 |
0 |
|
|
123975 |
50868318 |
1 |
FSN2O2C26H27 |
ABC2D2E26F27 |
-86.47 |
8.43 |
-8.04 |
-1.05 |
0 |
|
|
123976 |
50868433 |
1 |
FON3C24H28 |
ABC3D24E28 |
-33.0 |
7.98 |
-7.9 |
-0.55 |
0 |
|
|
123977 |
50868546 |
1 |
Br2O2N3C24H27 |
A2B2C3D24E27 |
-27.61 |
5.72 |
-7.96 |
-0.73 |
0 |
|
|
123978 |
50868593 |
1 |
FN3O3C27H28 |
AB3C3D27E28 |
-131.57 |
9.31 |
-8.25 |
-1.27 |
0 |
|
|
123979 |
50868594 |
1 |
N3O5C28H29 |
A3B5C28D29 |
-147.12 |
8.38 |
-8.24 |
-1.22 |
0 |
|
|
123980 |
50868626 |
1 |
O2N3C26H29 |
A2B3C26D29 |
5.14 |
4.69 |
-7.6 |
-0.89 |
0 |
|
|
123981 |
50868627 |
1 |
BrO2N3C26H28 |
AB2C3D26E28 |
8.42 |
4.46 |
-7.69 |
-1.17 |
0 |
|
|
123982 |
50868668 |
1 |
ON2C24H30 |
AB2C24D30 |
-1.04 |
5.02 |
-7.79 |
-0.11 |
0 |
|
|
123983 |
50868710 |
1 |
OSN3C27H31 |
ABC3D27E31 |
13.38 |
6.19 |
-7.93 |
-0.69 |
0 |
|
|
123984 |
50868711 |
1 |
OSN3C27H31 |
ABC3D27E31 |
15.2 |
4.76 |
-7.76 |
-0.73 |
0 |
|
|
123985 |
50868793 |
1 |
O2N3C29H33 |
A2B3C29D33 |
-5.47 |
7.65 |
-7.82 |
-0.27 |
0 |
|
|
123986 |
50868794 |
1 |
O2N3C27H31 |
A2B3C27D31 |
-16.14 |
9.39 |
-8.08 |
-0.74 |
0 |
|
|
123987 |
50868795 |
1 |
ClON3C26H28 |
ABC3D26E28 |
10.45 |
8.24 |
-8.21 |
-1.01 |
0 |
|
|
123988 |
50869043 |
1 |
ClO3N4C23H25 |
AB3C4D23E25 |
10.64 |
8.71 |
-8.36 |
-1.73 |
0 |
|
|
123989 |
50869054 |
1 |
ClN2C23H27 |
AB2C23D27 |
31.36 |
3.73 |
-7.76 |
-0.25 |
0 |
|
|
123990 |
50869138 |
1 |
ClO2N3C25H26 |
AB2C3D25E26 |
3.72 |
2.51 |
-7.87 |
-0.94 |
0 |
|
|
123991 |
50869139 |
1 |
BrClO2N3C25H25 |
ABC2D3E25F25 |
1.11 |
4.83 |
-7.96 |
-1.21 |
0 |
|
|
123992 |
50869140 |
1 |
ClIN2C22H24 |
ABC2D22E24 |
55.43 |
6.79 |
-8.14 |
-0.65 |
0 |
|
|
123993 |
50869141 |
1 |
ClSN2O2C21H25 |
ABC2D2E21F25 |
-77.66 |
6.52 |
-8.11 |
-0.77 |
0 |
|
|
123994 |
50869191 |
1 |
ClOF3N3C24H25 |
ABC3D3E24F25 |
-146.46 |
8.11 |
-8.24 |
-0.96 |
0 |
|
|
123995 |
50869264 |
1 |
ClIN2C22H24 |
ABC2D22E24 |
57.28 |
4.29 |
-8.06 |
-0.7 |
0 |
|
|
123996 |
50869265 |
1 |
FO2N3C23H26 |
AB2C3D23E26 |
-14.45 |
12.02 |
-8.35 |
-1.19 |
0 |
|
|
123997 |
50869279 |
1 |
N2Cl3C22H23 |
A2B3C22D23 |
25.05 |
5.65 |
-8.16 |
-0.41 |
0 |
|
|
123998 |
50869280 |
1 |
BrClN2C22H24 |
ABC2D22E24 |
37.86 |
4.09 |
-8.07 |
-0.32 |
0 |
|
|
123999 |
50869362 |
1 |
FOSN3C26H28 |
ABCD3E26F28 |
-22.35 |
1.67 |
-7.95 |
-0.7 |
0 |
|
|
124000 |
50869363 |
1 |
FOSN3H24C25 |
ABCD3E24F25 |
-4.97 |
8.34 |
-8.24 |
-1.16 |
0 |
|
|
124001 |
50869364 |
1 |
FSO2N3C29H34 |
ABC2D3E29F34 |
-72.01 |
4.59 |
-8.07 |
-0.84 |
0 |
|
|
124002 |
50869475 |
1 |
FO2N3C26H28 |
AB2C3D26E28 |
-53.02 |
9.7 |
-8.32 |
-0.95 |
0 |
|
|
124003 |
50869476 |
1 |
ClFON3C25H25 |
ABCD3E25F25 |
-24.87 |
7.19 |
-8.33 |
-0.88 |
0 |
|
|
124004 |
50869477 |
1 |
FOCl2N3C23H24 |
ABC2D3E23F24 |
-42.9 |
8.49 |
-8.23 |
-1.0 |
0 |
|
|
124005 |
50869551 |
1 |
FON3C27H28 |
ABC3D27E28 |
-7.85 |
9.54 |
-8.19 |
-0.79 |
0 |
|
|
124006 |
50869552 |
1 |
FCl2O2N3C26H26 |
AB2C2D3E26F26 |
-99.75 |
5.88 |
-8.06 |
-0.72 |
0 |
|
|
124007 |
50869644 |
1 |
FSN2O2C21H25 |
ABC2D2E21F25 |
-116.61 |
6.75 |
-8.14 |
-0.78 |
0 |
|
|
124008 |
50869807 |
1 |
SN2O5C23H28 |
AB2C5D23E28 |
-188.31 |
11.47 |
-8.18 |
-0.86 |
0 |
|
|
124009 |
50869808 |
1 |
SN2O5C24H30 |
AB2C5D24E30 |
-192.34 |
7.6 |
-7.96 |
-0.66 |
0 |
|
|
124010 |
50869824 |
1 |
SN3O3C34H37 |
AB3C3D34E37 |
-31.45 |
3.93 |
-7.87 |
-0.5 |
0 |
|
|
124011 |
50869878 |
1 |
ION2C23H27 |
ABC2D23E27 |
22.92 |
7.94 |
-7.9 |
-0.56 |
0 |
|
|
124012 |
50869879 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-115.19 |
9.24 |
-8.02 |
-0.75 |
0 |
|
|
124013 |
50869880 |
1 |
SN3O4C30H35 |
AB3C4D30E35 |
-135.03 |
10.94 |
-8.14 |
-0.94 |
0 |
|
|
124014 |
50869881 |
1 |
SCl2N3O3C27H27 |
AB2C3D3E27F27 |
-79.87 |
12.36 |
-8.52 |
-1.35 |
0 |
|
|
124015 |
50869895 |
1 |
SN3O3C29H33 |
AB3C3D29E33 |
-76.71 |
12.81 |
-8.42 |
-1.25 |
0 |
|
|
124016 |
50869899 |
1 |
SN2O3C23H30 |
AB2C3D23E30 |
-114.6 |
6.72 |
-7.93 |
-0.58 |
0 |
|
|
124017 |
50869910 |
1 |
ON5C29H31 |
AB5C29D31 |
69.95 |
10.21 |
-8.09 |
-1.18 |
0 |
|
|
124018 |
50869911 |
1 |
SN2O5C24H30 |
AB2C5D24E30 |
-190.93 |
6.93 |
-7.96 |
-0.68 |
0 |
|
|
124019 |
50869915 |
2 |
NOC12H15 |
ABC12D15 |
-33.98 |
6.55 |
-7.82 |
-0.23 |
0 |
|
|
124020 |
50869928 |
1 |
ON2C27H30 |
AB2C27D30 |
23.61 |
6.44 |
-7.82 |
-0.31 |
0 |
|
|
124021 |
50869937 |
1 |
BrN3O4C28H30 |
AB3C4D28E30 |
-124.18 |
10.31 |
-8.41 |
-1.12 |
0 |
|
|
124022 |
50869938 |
1 |
N2O3C25H30 |
A2B3C25D30 |
-85.21 |
9.48 |
-7.97 |
-0.43 |
0 |
|
|
124023 |
50869939 |
1 |
ON2C29H32 |
AB2C29D32 |
29.88 |
6.24 |
-7.83 |
-0.12 |
0 |
|
|
124024 |
50869983 |
1 |
FN3O4C27H28 |
AB3C4D27E28 |
-164.49 |
11.24 |
-8.4 |
-1.14 |
0 |
|
|
124025 |
50869984 |
1 |
N3O6C28H29 |
A3B6C28D29 |
-185.11 |
11.46 |
-8.4 |
-1.1 |
0 |
|
|
124026 |
50869985 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-107.08 |
8.89 |
-8.09 |
-0.74 |
0 |
|
|
124027 |
50869986 |
2 |
NOSC10H12 |
ABCD10E12 |
-42.9 |
10.72 |
-8.15 |
-1.14 |
0 |
|
|
124028 |
50870079 |
1 |
INOS2H12C18 |
ABCD2E12F18 |
87.66 |
3.5 |
-8.88 |
-1.64 |
0 |
|
|
124029 |
50870252 |
1 |
BrN2S2O4H5C10 |
AB2C2D4E5F10 |
-18.52 |
5.11 |
-9.43 |
-1.84 |
0 |
|
|
124030 |
50870278 |
1 |
SCl2N2O4H22C31 |
AB2C2D4E22F31 |
-28.58 |
6.3 |
-8.74 |
-1.73 |
0 |
|
|
124031 |
50870279 |
1 |
NCl2S2O3H15C19 |
AB2C2D3E15F19 |
-43.6 |
4.2 |
-8.85 |
-1.64 |
0 |
|
|
124032 |
50870280 |
1 |
OCl2N2S2H16C25 |
AB2C2D2E16F25 |
75.79 |
5.57 |
-8.54 |
-1.45 |
0 |
|
|
124033 |
50870320 |
1 |
ClNSO4H10C12 |
ABCD4E10F12 |
-123.63 |
3.07 |
-8.76 |
-1.58 |
0 |
|
|
124034 |
50870321 |
1 |
ClFNO2S2H15C23 |
ABCD2E2F15G23 |
-11.96 |
6.4 |
-8.74 |
-1.44 |
0 |
|
|
124035 |
50870328 |
1 |
BrFNS2O3H17C24 |
ABCD2E3F17G24 |
-34.02 |
2.68 |
-8.73 |
-1.57 |
0 |
|
|
124036 |
50870349 |
1 |
ClON2S2H17C20 |
ABC2D2E17F20 |
57.35 |
8.9 |
-8.27 |
-1.59 |
0 |
|
|
124037 |
50870388 |
1 |
NS2O4C26H29 |
AB2C4D26E29 |
-72.68 |
2.91 |
-8.64 |
-1.69 |
0 |
|
|
124038 |
50870524 |
1 |
ClO2N7C26H30 |
AB2C7D26E30 |
46.04 |
4.21 |
-8.15 |
-0.37 |
0 |
|
|
124039 |
50870561 |
1 |
SO3N7C26H31 |
AB3C7D26E31 |
9.85 |
4.68 |
-8.46 |
-0.98 |
0 |
|
|
124040 |
50870631 |
1 |
FO3N7C29H30 |
AB3C7D29E30 |
-0.26 |
3.17 |
-8.29 |
-0.6 |
0 |
|
|
124041 |
50870742 |
1 |
N2S3O6H14C22 |
A2B3C6D14E22 |
-24.79 |
7.65 |
-9.07 |
-1.78 |
0 |
|
|
124042 |
50870858 |
1 |
ClNS2O3H18C24 |
ABC2D3E18F24 |
-0.43 |
6.01 |
-8.7 |
-1.43 |
0 |
|
|
124043 |
50870859 |
1 |
BrFNO2S2H15C20 |
ABCD2E2F15G20 |
-16.17 |
4.97 |
-8.89 |
-1.58 |
0 |
|
|
124044 |
50870898 |
1 |
NBr2O2S2H23C27 |
AB2C2D2E23F27 |
23.41 |
1.81 |
-8.9 |
-1.59 |
0 |
|
|
124045 |
50870922 |
1 |
BrClFNSO3H14C23 |
ABCDEF3G14H23 |
-76.53 |
2.35 |
-9.38 |
-1.46 |
0 |
|
|
124046 |
50870932 |
1 |
ClNS2O5H16C20 |
ABC2D5E16F20 |
-110.53 |
1.81 |
-9.15 |
-1.66 |
0 |
|
|
124047 |
50870933 |
1 |
FNS2O3H18C24 |
ABC2D3E18F24 |
-42.32 |
4.26 |
-8.73 |
-1.3 |
0 |
|
|
124048 |
50870934 |
1 |
FNS2O3H18C24 |
ABC2D3E18F24 |
-45.15 |
2.0 |
-8.8 |
-1.49 |
0 |
|
|
124049 |
50870935 |
1 |
FNO2S2H22C23 |
ABC2D2E22F23 |
-51.28 |
3.02 |
-9.02 |
-1.42 |
0 |
|
|
124050 |
50870936 |
1 |
FNO2S2H22C23 |
ABC2D2E22F23 |
-51.79 |
4.15 |
-9.01 |
-1.4 |
0 |
|
|
124051 |
50871132 |
1 |
ClFNS2O5H15C20 |
ABCD2E5F15G20 |
-159.93 |
7.38 |
-8.76 |
-1.92 |
0 |
|
|
124052 |
50871153 |
1 |
ClFNS2O4H13C19 |
ABCD2E4F13G19 |
-123.11 |
7.18 |
-9.14 |
-1.72 |
0 |
|
|
124053 |
50871258 |
1 |
FNCl2O2S2H14C23 |
ABC2D2E2F14G23 |
-19.45 |
6.55 |
-9.06 |
-1.67 |
0 |
|
|
124054 |
50871259 |
1 |
ClFNS2O3C25H25 |
ABCD2E3F25G25 |
-103.55 |
4.81 |
-8.42 |
-1.42 |
0 |
|
|
124055 |
50871343 |
1 |
NS2O6H15C18 |
AB2C6D15E18 |
-167.74 |
4.84 |
-8.88 |
-1.14 |
0 |
|
|
124056 |
50871403 |
1 |
SN2O7C15H16 |
AB2C7D15E16 |
-243.51 |
5.04 |
-8.9 |
-1.51 |
0 |
|
|
124057 |
50871404 |
1 |
SN2O5H18C23 |
AB2C5D18E23 |
-72.76 |
3.42 |
-8.9 |
-1.56 |
0 |
|
|
124058 |
50871405 |
1 |
FN2O5H17C24 |
AB2C5D17E24 |
-113.53 |
3.14 |
-8.94 |
-1.53 |
0 |
|
|
124059 |
50871445 |
1 |
FNS3O7H14C19 |
ABC3D7E14F19 |
-226.04 |
5.15 |
-9.16 |
-2.13 |
0 |
|
|
124060 |
50871517 |
1 |
OF2N2S2H16C25 |
AB2C2D2E16F25 |
-1.38 |
6.34 |
-8.54 |
-1.49 |
0 |
|
|
124061 |
50871527 |
1 |
N3S3O9H15C23 |
A3B3C9D15E23 |
-66.13 |
8.02 |
-8.94 |
-2.08 |
0 |
|
|
124062 |
50871643 |
1 |
N2S3O7H16C20 |
A2B3C7D16E20 |
-78.33 |
6.96 |
-8.88 |
-1.91 |
0 |