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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
45896 |
10518803 |
1 |
NO3H17C19 |
AB3C17D19 |
-41.99 |
4.44 |
-9.16 |
-0.69 |
0 |
|
|
45897 |
10518812 |
1 |
FNO3C17H22 |
ABC3D17E22 |
-169.66 |
3.52 |
-8.8 |
-0.3 |
0 |
|
|
45898 |
10518872 |
1 |
SF3H15C17 |
AB3C15D17 |
-122.45 |
4.9 |
-8.77 |
-0.39 |
0 |
|
|
45899 |
10518879 |
2 |
NO2C8H12 |
AB2C8D12 |
-139.54 |
1.33 |
-8.44 |
-0.21 |
0 |
|
|
45900 |
10518880 |
2 |
NO2C8H12 |
AB2C8D12 |
-112.5 |
6.06 |
-9.62 |
-0.31 |
0 |
|
|
45901 |
10518888 |
2 |
OSN2C6H6 |
ABC2D6E6 |
41.54 |
6.08 |
-8.99 |
-0.83 |
0 |
|
|
45902 |
10518893 |
1 |
OSN2H16C18 |
ABC2D16E18 |
65.46 |
3.93 |
-8.92 |
-0.99 |
0 |
|
|
45903 |
10518897 |
1 |
ON2C20H24 |
AB2C20D24 |
-11.77 |
3.67 |
-8.79 |
-0.04 |
0 |
|
|
45904 |
10518922 |
1 |
ClSN2O2H13C14 |
ABC2D2E13F14 |
-8.72 |
3.78 |
-8.71 |
-0.66 |
0 |
|
|
45905 |
10518946 |
1 |
FNO3C17H24 |
ABC3D17E24 |
-178.33 |
2.2 |
-9.57 |
-0.44 |
0 |
|
|
45906 |
10518964 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-84.89 |
3.72 |
-8.92 |
-0.8 |
0 |
|
|
45907 |
10518970 |
1 |
NSiC19H39 |
ABC19D39 |
-75.34 |
1.57 |
-8.12 |
0.85 |
0 |
|
|
45908 |
10518972 |
1 |
ClSO2N3H12C13 |
ABC2D3E12F13 |
-28.1 |
5.93 |
-8.86 |
-0.96 |
0 |
|
|
45909 |
10518973 |
1 |
ClNOS2H12C14 |
ABCD2E12F14 |
-6.82 |
4.17 |
-8.53 |
-0.88 |
0 |
|
|
45910 |
10518983 |
1 |
SN4O5H10C11 |
AB4C5D10E11 |
-109.39 |
5.78 |
-9.65 |
-1.51 |
0 |
|
|
45911 |
10518997 |
1 |
OSN6H10C14 |
ABC6D10E14 |
155.34 |
3.75 |
-9.44 |
-1.92 |
0 |
|
|
45912 |
10519011 |
1 |
SO5C15H18 |
AB5C15D18 |
-186.79 |
5.23 |
-9.84 |
-0.17 |
0 |
|
|
45913 |
10519042 |
1 |
OSN2C17H30 |
ABC2D17E30 |
-87.74 |
6.3 |
-9.21 |
-0.92 |
0 |
|
|
45914 |
10519043 |
1 |
SiO3C17H30 |
AB3C17D30 |
-189.54 |
2.74 |
-8.66 |
0.59 |
0 |
|
|
45915 |
10519049 |
1 |
Si3C16H34 |
A3B16C34 |
-48.17 |
0.33 |
-8.03 |
1.46 |
0 |
|
|
45916 |
10519050 |
1 |
ClSN2O3H11C13 |
ABC2D3E11F13 |
-62.45 |
7.51 |
-9.24 |
-1.85 |
0 |
|
|
45917 |
10519075 |
1 |
NO4H17C18 |
AB4C17D18 |
-100.81 |
2.97 |
-8.27 |
-0.35 |
0 |
|
|
45918 |
10519083 |
1 |
N3O5C14H21 |
A3B5C14D21 |
-220.87 |
1.19 |
-9.73 |
-0.86 |
0 |
|
|
45919 |
10519085 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-2.04 |
2.63 |
-8.86 |
-1.26 |
0 |
|
|
45920 |
10519115 |
1 |
NSiO5C14H21 |
ABC5D14E21 |
-171.84 |
6.57 |
-9.15 |
-1.46 |
0 |
|
|
45921 |
10519125 |
1 |
LiNOSSiC16H22 |
ABCDEF16G22 |
-49.17 |
8.3 |
-7.79 |
-0.23 |
0 |
|
|
45922 |
10519139 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-40.98 |
6.77 |
-9.46 |
-0.19 |
0 |
|
|
45923 |
10519211 |
1 |
O2C21H28 |
A2B21C28 |
-96.03 |
3.54 |
-8.3 |
-0.22 |
0 |
|
|
45924 |
10519216 |
1 |
FSiO3C16H25 |
ABC3D16E25 |
-221.3 |
1.06 |
-8.79 |
-0.11 |
0 |
|
|
45925 |
10519219 |
1 |
SSiO2C16H28 |
ABC2D16E28 |
-121.25 |
1.47 |
-8.38 |
0.05 |
0 |
|
|
45926 |
10519254 |
1 |
FNO2C19H20 |
ABC2D19E20 |
-68.65 |
2.53 |
-8.86 |
-0.71 |
0 |
|
|
45927 |
10519286 |
1 |
ClO2N3H12C16 |
AB2C3D12E16 |
25.09 |
6.26 |
-9.2 |
-0.89 |
0 |
|
|
45928 |
10519291 |
1 |
ClNO2H16C18 |
ABC2D16E18 |
-39.63 |
2.57 |
-9.23 |
-0.48 |
0 |
|
|
45929 |
10519307 |
1 |
SF3O5C11H13 |
AB3C5D11E13 |
-341.6 |
5.14 |
-8.88 |
-0.24 |
0 |
|
|
45930 |
10519332 |
2 |
O3C8H13 |
A3B8C13 |
-288.36 |
3.19 |
-9.99 |
-0.31 |
0 |
|
|
45931 |
10519333 |
1 |
O4C19H22 |
A4B19C22 |
-132.72 |
2.71 |
-9.28 |
0.19 |
0 |
|
|
45932 |
10519348 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-56.54 |
2.87 |
-8.12 |
0.27 |
0 |
|
|
45933 |
10519364 |
1 |
SiO3C17H34 |
AB3C17D34 |
-214.27 |
2.18 |
-9.68 |
1.14 |
0 |
|
|
45934 |
10519393 |
1 |
NO5C17H17 |
AB5C17D17 |
-169.94 |
3.31 |
-9.62 |
-1.02 |
0 |
|
|
45935 |
10519397 |
1 |
FNS2O4H10C12 |
ABC2D4E10F12 |
-166.68 |
3.02 |
-8.99 |
-1.22 |
0 |
|
|
45936 |
10519399 |
1 |
SN3O3H13C15 |
AB3C3D13E15 |
-19.11 |
6.85 |
-9.23 |
-0.82 |
0 |
|
|
45937 |
10519410 |
1 |
NS2O5C12H13 |
AB2C5D12E13 |
-111.36 |
3.48 |
-9.64 |
-1.82 |
0 |
|
|
45938 |
10519412 |
1 |
NO2H17C21 |
AB2C17D21 |
30.82 |
2.71 |
-9.42 |
-0.79 |
0 |
|
|
45939 |
10519446 |
1 |
NSiO4C15H29 |
ABC4D15E29 |
-237.98 |
3.67 |
-9.05 |
0.58 |
0 |
|
|
45940 |
10519448 |
1 |
NOC21H33 |
ABC21D33 |
-78.48 |
4.27 |
-9.15 |
0.1 |
0 |
|
|
45941 |
10519451 |
1 |
ClNO5C14H18 |
ABC5D14E18 |
-141.92 |
1.91 |
-9.62 |
-0.85 |
0 |
|
|
45942 |
10519476 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-122.67 |
2.74 |
-8.79 |
-0.2 |
0 |
|
|
45943 |
10519493 |
1 |
SO5C15H24 |
AB5C15D24 |
-210.92 |
1.88 |
-8.46 |
0.49 |
0 |
|
|
45944 |
10519500 |
2 |
O2C9H18 |
A2B9C18 |
-116.61 |
0.07 |
-9.55 |
-0.31 |
0 |
|
|
45945 |
10519504 |
1 |
OSiC20H32 |
ABC20D32 |
-84.19 |
2.7 |
-9.07 |
0.23 |
0 |
|
|
45946 |
10519518 |
1 |
OPCl2C15H19 |
ABC2D15E19 |
-88.29 |
6.22 |
-9.36 |
0.08 |
0 |
|
|
45947 |
10519521 |
2 |
ClNOC7H9 |
ABCD7E9 |
-88.82 |
1.81 |
-8.84 |
-0.59 |
0 |
|
|
45948 |
10519528 |
1 |
NSO5H11C15 |
ABC5D11E15 |
-55.54 |
6.3 |
-10.16 |
-2.0 |
0 |
|
|
45949 |
10519550 |
1 |
NO3C19H27 |
AB3C19D27 |
-94.96 |
3.66 |
-9.48 |
0.14 |
0 |
|
|
45950 |
10519551 |
1 |
NO3C19H27 |
AB3C19D27 |
-97.49 |
2.67 |
-9.13 |
0.2 |
0 |
|
|
45951 |
10519572 |
2 |
NO2H5C9 |
AB2C5D9 |
27.23 |
5.99 |
-9.83 |
-1.88 |
0 |
|
|
45952 |
10519619 |
1 |
O3C20H30 |
A3B20C30 |
-150.12 |
3.05 |
-9.35 |
0.5 |
0 |
|
|
45953 |
10519620 |
1 |
OC23H26 |
AB23C26 |
22.53 |
0.73 |
-8.55 |
0.34 |
0 |
|
|
45954 |
10519621 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-121.12 |
1.28 |
-8.02 |
0.31 |
0 |
|
|
45955 |
10519624 |
2 |
NC11H13 |
AB11C13 |
57.53 |
0.57 |
-8.72 |
0.3 |
0 |
|
|
45956 |
10519639 |
1 |
NSiZnC15H31 |
ABCD15E31 |
-31.42 |
1.18 |
-7.99 |
0.22 |
0 |
|
|
45957 |
10519652 |
1 |
NO6C16H17 |
AB6C16D17 |
-229.85 |
2.56 |
-9.24 |
-1.03 |
0 |
|
|
45958 |
10519667 |
1 |
NSO2H13C19 |
ABC2D13E19 |
-2.61 |
1.72 |
-9.05 |
-1.08 |
0 |
|
|
45959 |
10519674 |
1 |
NO2C21H21 |
AB2C21D21 |
-19.46 |
2.84 |
-8.43 |
-0.46 |
0 |
|
|
45960 |
10519681 |
1 |
ON3C20H21 |
AB3C20D21 |
30.3 |
12.23 |
-8.75 |
-0.37 |
0 |
|
|
45961 |
10519800 |
1 |
NO5C17H23 |
AB5C17D23 |
-189.31 |
1.47 |
-10.05 |
-0.85 |
0 |
|
|
45962 |
10519803 |
1 |
NO3H19C20 |
AB3C19D20 |
-57.59 |
3.61 |
-9.26 |
-0.26 |
0 |
|
|
45963 |
10519804 |
1 |
NO3H19C20 |
AB3C19D20 |
-58.64 |
3.4 |
-9.24 |
-0.23 |
0 |
|
|
45964 |
10519823 |
1 |
NO2C20H35 |
AB2C20D35 |
-87.31 |
2.39 |
-8.99 |
1.06 |
0 |
|
|
45965 |
10519832 |
1 |
ClN3O4H12C14 |
AB3C4D12E14 |
-26.86 |
6.77 |
-9.87 |
-2.03 |
0 |
|
|
45966 |
10519847 |
1 |
O7C16H18 |
A7B16C18 |
-171.79 |
5.11 |
-9.56 |
-0.05 |
0 |
|
|
45967 |
10519869 |
1 |
FO4C18H23 |
AB4C18D23 |
-150.22 |
3.23 |
-9.41 |
-0.17 |
0 |
|
|
45968 |
10519875 |
1 |
N2O4C17H26 |
A2B4C17D26 |
-191.19 |
7.11 |
-9.6 |
0.14 |
0 |
|
|
45969 |
10519880 |
2 |
NOC10H11 |
ABC10D11 |
-7.54 |
8.03 |
-8.22 |
-1.09 |
0 |
|
|
45970 |
10519899 |
1 |
SO2C19H30 |
AB2C19D30 |
-89.04 |
4.94 |
-7.97 |
0.24 |
0 |
|
|
45971 |
10519917 |
1 |
NBr2O2C9H9 |
AB2C2D9E9 |
-12.01 |
2.88 |
-8.98 |
-1.04 |
0 |
|
|
45972 |
10519930 |
1 |
PN3O6C11H22 |
AB3C6D11E22 |
-293.34 |
6.63 |
-9.56 |
-0.08 |
0 |
|
|
45973 |
10519935 |
1 |
SF2O2N3H11C14 |
AB2C2D3E11F14 |
-79.54 |
3.4 |
-9.06 |
-0.95 |
0 |
|
|
45974 |
10519942 |
1 |
NO4H17C19 |
AB4C17D19 |
-76.56 |
2.27 |
-8.81 |
-1.32 |
0 |
|
|
45975 |
10519947 |
1 |
NO2H13C22 |
AB2C13D22 |
33.59 |
2.94 |
-8.82 |
-1.58 |
0 |
|
|
45976 |
10519954 |
1 |
NO3C20H21 |
AB3C20D21 |
-81.96 |
2.54 |
-9.29 |
-1.37 |
0 |
|
|
45977 |
10519963 |
1 |
N3H17C22 |
A3B17C22 |
126.26 |
1.37 |
-8.1 |
-1.05 |
0 |
|
|
45978 |
10519967 |
1 |
OSN3H17C18 |
ABC3D17E18 |
45.27 |
3.27 |
-8.21 |
-0.26 |
0 |
|
|
45979 |
10519981 |
1 |
NOSC19H33 |
ABCD19E33 |
-77.97 |
7.9 |
-8.14 |
0.31 |
0 |
|
|
45980 |
10519987 |
1 |
ClSO2N3C14H14 |
ABC2D3E14F14 |
8.98 |
5.8 |
-8.71 |
-1.66 |
0 |
|
|
45981 |
10519990 |
1 |
ClN3H18C19 |
AB3C18D19 |
88.88 |
2.1 |
-9.54 |
-0.75 |
0 |
|
|
45982 |
10520018 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-19.55 |
6.69 |
-8.5 |
-1.49 |
0 |
|
|
45983 |
10520021 |
1 |
N4O4C15H24 |
A4B4C15D24 |
-113.88 |
5.19 |
-10.04 |
-0.31 |
0 |
|
|
45984 |
10520029 |
2 |
NOC10H12 |
ABC10D12 |
-42.55 |
3.35 |
-9.0 |
0.08 |
0 |
|
|
45985 |
10520030 |
2 |
NOC10H12 |
ABC10D12 |
-28.96 |
4.74 |
-9.04 |
-0.28 |
0 |
|
|
45986 |
10520037 |
1 |
SO4C17H24 |
AB4C17D24 |
-163.47 |
7.51 |
-8.36 |
-0.02 |
0 |
|
|
45987 |
10520057 |
1 |
ClON4H13C17 |
ABC4D13E17 |
51.5 |
6.63 |
-8.96 |
-0.99 |
0 |
|
|
45988 |
10520070 |
1 |
BNO3C19H24 |
ABC3D19E24 |
-162.35 |
2.47 |
-8.67 |
0.1 |
0 |
|
|
45989 |
10520076 |
1 |
SeO2C16H22 |
AB2C16D22 |
-75.67 |
4.53 |
-8.32 |
0.01 |
0 |
|
|
45990 |
10520088 |
1 |
NO4C19H19 |
AB4C19D19 |
-123.59 |
3.76 |
-9.25 |
-1.46 |
0 |
|
|
45991 |
10520113 |
1 |
NSO2C19H19 |
ABC2D19E19 |
9.81 |
4.94 |
-8.43 |
-0.75 |
0 |
|
|
45992 |
10520136 |
1 |
ClO2N3C16H24 |
AB2C3D16E24 |
-30.03 |
5.3 |
-9.04 |
-0.29 |
0 |
|
|
45993 |
10520139 |
1 |
ClO2N3C16H24 |
AB2C3D16E24 |
-94.18 |
7.79 |
-8.39 |
-0.07 |
0 |
|
|
45994 |
10520154 |
1 |
SN4O5C12H14 |
AB4C5D12E14 |
-104.82 |
9.74 |
-10.03 |
-1.43 |
0 |
|
|
45995 |
10520167 |
1 |
O4N6C13H22 |
A4B6C13D22 |
-77.18 |
1.53 |
-8.21 |
-0.68 |
0 |