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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
24884 |
614227 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-42.73 |
7.0 |
-9.49 |
-0.6 |
0 |
|
|
24885 |
614229 |
1 |
ClFSN2O3H14C16 |
ABCD2E3F14G16 |
-133.28 |
8.24 |
-8.91 |
-0.9 |
0 |
|
|
24886 |
614241 |
1 |
ON4H8C12 |
AB4C8D12 |
68.41 |
9.28 |
-9.29 |
-1.32 |
0 |
|
|
24887 |
614243 |
1 |
O3C13H20 |
A3B13C20 |
-165.13 |
3.87 |
-10.14 |
0.33 |
0 |
|
|
24888 |
614244 |
1 |
SN5H15C21 |
AB5C15D21 |
176.3 |
6.84 |
-9.22 |
-1.23 |
0 |
|
|
24889 |
614248 |
1 |
ClNO2H18C21 |
ABC2D18E21 |
-28.07 |
3.04 |
-8.82 |
-0.6 |
0 |
|
|
24890 |
614253 |
1 |
FNSO3C17H18 |
ABCD3E17F18 |
-122.92 |
6.25 |
-8.87 |
-0.64 |
0 |
|
|
24891 |
614259 |
1 |
BO2H13C14 |
AB2C13D14 |
-94.24 |
0.83 |
-8.76 |
-0.47 |
0 |
|
|
24892 |
614260 |
1 |
ON2H12C14 |
AB2C12D14 |
40.03 |
2.69 |
-9.88 |
-1.3 |
0 |
|
|
24893 |
614261 |
1 |
ON2H12C14 |
AB2C12D14 |
39.18 |
1.35 |
-8.66 |
-1.29 |
0 |
|
|
24894 |
614262 |
2 |
OSN2C3 |
ABC2D3 |
76.19 |
0.02 |
-10.34 |
-2.03 |
0 |
|
|
24895 |
614263 |
1 |
ClSN3O3H14C16 |
ABC3D3E14F16 |
-55.87 |
3.41 |
-9.34 |
-1.33 |
0 |
|
|
24896 |
614265 |
1 |
O4H12C15 |
A4B12C15 |
-113.5 |
5.18 |
-9.32 |
-1.01 |
0 |
|
|
24897 |
614271 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-38.39 |
2.15 |
-9.1 |
-0.51 |
0 |
|
|
24898 |
614273 |
1 |
SN2O2C19H26 |
AB2C2D19E26 |
-102.61 |
1.21 |
-8.4 |
-0.32 |
0 |
|
|
24899 |
614294 |
1 |
ON2C18H20 |
AB2C18D20 |
12.67 |
3.08 |
-8.19 |
-0.42 |
0 |
|
|
24900 |
614297 |
1 |
N4H12C13 |
A4B12C13 |
95.62 |
4.7 |
-9.21 |
-0.96 |
0 |
|
|
24901 |
614298 |
1 |
N4H12C13 |
A4B12C13 |
60.87 |
1.86 |
-8.45 |
-0.59 |
0 |
|
|
24902 |
614307 |
1 |
SiO2C15H16 |
AB2C15D16 |
-106.12 |
3.06 |
-8.74 |
0.4 |
0 |
|
|
24903 |
614361 |
1 |
SO2N5C7H7 |
AB2C5D7E7 |
4.56 |
2.55 |
-9.13 |
-2.06 |
0 |
|
|
24904 |
614368 |
1 |
N3O4C9H11 |
A3B4C9D11 |
-114.17 |
3.69 |
-9.44 |
-1.11 |
0 |
|
|
24905 |
614375 |
1 |
SSiO2C10H14 |
ABC2D10E14 |
-122.44 |
3.75 |
-8.82 |
-0.84 |
0 |
|
|
24906 |
614377 |
1 |
PSN2Si2O3C10H25 |
ABC2D2E3F10G25 |
-337.99 |
3.62 |
-8.72 |
-0.81 |
0 |
|
|
24907 |
614462 |
1 |
NO5C27H45 |
AB5C27D45 |
-249.73 |
2.76 |
-8.78 |
-0.27 |
0 |
|
|
24908 |
614463 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-48.1 |
2.26 |
-8.9 |
-0.34 |
0 |
|
|
24909 |
614464 |
1 |
NO6C29H49 |
AB6C29D49 |
-305.67 |
2.89 |
-8.68 |
-0.17 |
0 |
|
|
24910 |
614465 |
1 |
OSiC14H28 |
ABC14D28 |
-146.25 |
1.94 |
-8.87 |
1.47 |
0 |
|
|
24911 |
614467 |
1 |
NO2S2H7C9 |
AB2C2D7E9 |
-27.49 |
7.29 |
-9.4 |
-1.66 |
0 |
|
|
24912 |
614469 |
2 |
NOC2Cl3 |
ABC2D3 |
16.91 |
0.47 |
-10.89 |
-2.01 |
0 |
|
|
24913 |
614470 |
1 |
OSH16C17 |
ABC16D17 |
5.79 |
4.09 |
-9.21 |
-0.39 |
0 |
|
|
24914 |
614471 |
1 |
O2N5C9H15 |
A2B5C9D15 |
-24.88 |
4.6 |
-9.69 |
-0.61 |
0 |
|
|
24915 |
614477 |
1 |
SN4O8C18H22 |
AB4C8D18E22 |
-290.89 |
1.24 |
-8.86 |
-0.82 |
0 |
|
|
24916 |
614479 |
1 |
FNOH8C14 |
ABCD8E14 |
0.18 |
3.63 |
-9.27 |
-1.91 |
0 |
|
|
24917 |
614485 |
2 |
O2C13H21 |
A2B13C21 |
-215.59 |
4.56 |
-10.1 |
-0.83 |
0 |
|
|
24918 |
614486 |
1 |
SN2O5C17H18 |
AB2C5D17E18 |
-148.88 |
2.51 |
-8.23 |
-0.83 |
0 |
|
|
24919 |
614490 |
1 |
ClOH11C16 |
ABC11D16 |
43.74 |
2.02 |
-8.48 |
-1.33 |
0 |
|
|
24920 |
614492 |
1 |
NOS2C10H11 |
ABC2D10E11 |
26.12 |
2.2 |
-8.34 |
-0.56 |
0 |
|
|
24921 |
614605 |
1 |
NO5C18H19 |
AB5C18D19 |
-166.89 |
1.56 |
-8.68 |
-0.11 |
0 |
|
|
24922 |
614606 |
1 |
BrNO4C35H48 |
ABC4D35E48 |
-192.2 |
2.72 |
-8.54 |
-0.74 |
0 |
|
|
24923 |
614607 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-3.05 |
9.05 |
-8.62 |
-1.15 |
0 |
|
|
24924 |
614611 |
2 |
NOH5C6F7 |
ABC5D6E7 |
-797.92 |
4.88 |
-10.8 |
-0.46 |
0 |
|
|
24925 |
614612 |
1 |
NO7C30H59 |
AB7C30D59 |
-405.37 |
5.04 |
-9.42 |
0.52 |
0 |
|
|
24926 |
614616 |
1 |
NSO6C18H23 |
ABC6D18E23 |
-162.02 |
4.23 |
-8.74 |
-0.62 |
0 |
|
|
24927 |
614623 |
1 |
NSiO3C13H23 |
ABC3D13E23 |
-136.0 |
3.14 |
-9.58 |
0.33 |
0 |
|
|
24928 |
614628 |
2 |
NO2C8H15 |
AB2C8D15 |
-218.48 |
0.56 |
-9.57 |
0.88 |
0 |
|
|
24929 |
614714 |
1 |
N2F3H9C11 |
A2B3C9D11 |
-114.59 |
6.61 |
-9.19 |
-0.6 |
0 |
|
|
24930 |
614894 |
1 |
NOF7C16H26 |
ABC7D16E26 |
-451.05 |
5.0 |
-10.66 |
-0.2 |
0 |
|
|
24931 |
614903 |
1 |
CuN2O2F6H14C16 |
AB2C2D6E14F16 |
-295.11 |
9.48 |
0.0 |
0.0 |
0 |
|
|
24932 |
614942 |
2 |
OC8H9 |
AB8C9 |
-51.31 |
2.86 |
-8.62 |
0.21 |
0 |
|
|
24933 |
614956 |
2 |
NO2C8H10 |
AB2C8D10 |
-156.65 |
2.62 |
-9.35 |
-0.49 |
0 |
|
|
24934 |
614986 |
1 |
NOC18H25 |
ABC18D25 |
-46.08 |
0.94 |
-8.58 |
0.35 |
0 |
|
|
24935 |
614987 |
1 |
NO5C19H25 |
AB5C19D25 |
-206.28 |
2.01 |
-8.81 |
-0.43 |
0 |
|
|
24936 |
614992 |
1 |
NP2S2C13H31 |
AB2C2D13E31 |
-170.44 |
7.36 |
-8.54 |
0.22 |
0 |
|
|
24937 |
615076 |
1 |
O3H12C14 |
A3B12C14 |
-85.78 |
7.98 |
-8.88 |
-1.03 |
0 |
|
|
24938 |
615077 |
1 |
NO6H23C27 |
AB6C23D27 |
-142.09 |
3.55 |
-9.65 |
-0.93 |
0 |
|
|
24939 |
615078 |
2 |
NO2H4C6 |
AB2C4D6 |
-13.82 |
8.48 |
-8.87 |
-1.94 |
0 |
|
|
24940 |
615079 |
1 |
O4C17H20 |
A4B17C20 |
-96.48 |
6.58 |
-8.98 |
-0.96 |
0 |
|
|
24941 |
615083 |
1 |
F2O3H10C11 |
A2B3C10D11 |
-202.55 |
2.73 |
-9.25 |
-0.82 |
0 |
|
|
24942 |
615084 |
1 |
BNSiC14H22 |
ABCD14E22 |
-30.77 |
1.59 |
-8.8 |
0.15 |
0 |
|
|
24943 |
615090 |
1 |
BrNO2C19H22 |
ABC2D19E22 |
-56.92 |
3.89 |
-8.68 |
-0.6 |
0 |
|
|
24944 |
615108 |
1 |
NO3C17H23 |
AB3C17D23 |
-108.93 |
4.72 |
-8.29 |
0.33 |
0 |
|
|
24945 |
615110 |
1 |
SiC11H16 |
AB11C16 |
1.25 |
0.98 |
-8.91 |
0.43 |
-6 |
|
|
24946 |
615111 |
2 |
O2N3H10C12 |
A2B3C10D12 |
21.61 |
5.02 |
-9.48 |
-1.05 |
0 |
|
|
24947 |
615112 |
1 |
BrN2O2H5C7 |
AB2C2D5E7 |
44.97 |
6.36 |
-9.27 |
-1.68 |
0 |
|
|
24948 |
615113 |
1 |
BrSN3O3H18C21 |
ABC3D3E18F21 |
-69.07 |
10.32 |
-8.9 |
-1.19 |
0 |
|
|
24949 |
615114 |
1 |
BrSN3O3H20C22 |
ABC3D3E20F22 |
-67.57 |
4.44 |
-9.24 |
-1.34 |
0 |
|
|
24950 |
615115 |
1 |
BrON2F3H6C7 |
ABC2D3E6F7 |
-164.98 |
3.5 |
-9.97 |
-1.12 |
0 |
|
|
24951 |
615180 |
2 |
NO3H11C13 |
AB3C11D13 |
-117.84 |
2.8 |
-9.88 |
-0.92 |
0 |
|
|
24952 |
615181 |
1 |
ClN5H8C12 |
AB5C8D12 |
138.1 |
6.29 |
-10.25 |
-1.46 |
0 |
|
|
24953 |
615182 |
2 |
C9H14 |
A9B14 |
-40.99 |
0.8 |
-8.69 |
0.7 |
0 |
|
|
24954 |
615183 |
2 |
C11H18 |
A11B18 |
-62.94 |
0.35 |
-8.7 |
0.81 |
0 |
|
|
24955 |
615184 |
1 |
ClFNOSH5C9 |
ABCDEF5G9 |
-38.63 |
5.78 |
-9.02 |
-1.5 |
0 |
|
|
24956 |
615200 |
1 |
SiO2C16H34 |
AB2C16D34 |
-198.75 |
2.32 |
-8.88 |
0.53 |
0 |
|
|
24957 |
615214 |
1 |
OSiC17H38 |
ABC17D38 |
-169.07 |
1.72 |
-9.0 |
1.38 |
0 |
|
|
24958 |
615215 |
1 |
SiO2C16H34 |
AB2C16D34 |
-203.47 |
2.86 |
-9.44 |
0.67 |
0 |
|
|
24959 |
615216 |
1 |
NOF3H10C11 |
ABC3D10E11 |
-174.63 |
5.05 |
-9.73 |
-0.15 |
0 |
|
|
24960 |
615221 |
1 |
NOSH11C13 |
ABCD11E13 |
22.33 |
4.41 |
-9.23 |
-0.95 |
0 |
|
|
24961 |
615225 |
1 |
NOC15H19 |
ABC15D19 |
-21.83 |
4.2 |
-9.29 |
-0.23 |
0 |
|
|
24962 |
615226 |
1 |
OSiC16H36 |
ABC16D36 |
-166.33 |
1.78 |
-8.87 |
1.44 |
0 |
|
|
24963 |
615228 |
1 |
O2N3H11C12 |
A2B3C11D12 |
-8.39 |
3.27 |
-9.12 |
-1.28 |
0 |
|
|
24965 |
615231 |
1 |
S2N3C9H15 |
A2B3C9D15 |
35.83 |
3.82 |
-8.4 |
-0.6 |
0 |
|
|
24967 |
615353 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-69.15 |
1.09 |
-8.54 |
-0.18 |
0 |
|
|
24968 |
615360 |
1 |
ClN2H15C19 |
AB2C15D19 |
95.78 |
7.18 |
-9.12 |
-0.07 |
0 |
|
|
24969 |
615465 |
1 |
O3C14H14 |
A3B14C14 |
-109.64 |
6.03 |
-9.25 |
-0.78 |
0 |
|
|
24970 |
615499 |
1 |
N2S3C8H10 |
A2B3C8D10 |
61.66 |
1.94 |
-8.8 |
-1.16 |
0 |
|
|
24971 |
615769 |
1 |
INOC10H12 |
ABCD10E12 |
-13.77 |
3.79 |
-9.66 |
-1.17 |
0 |
|
|
24972 |
615772 |
1 |
IN3O4H8C12 |
AB3C4D8E12 |
34.79 |
5.26 |
-9.78 |
-1.8 |
0 |
|
|
24973 |
615814 |
1 |
OF3N3H8C9 |
AB3C3D8E9 |
-135.33 |
8.95 |
-9.32 |
-1.48 |
0 |
|
|
24975 |
615898 |
1 |
ION2C19H21 |
ABC2D19E21 |
38.22 |
5.5 |
-9.24 |
-1.15 |
0 |
|
|
24976 |
615905 |
1 |
IOF3H8C14 |
ABC3D8E14 |
-126.96 |
1.68 |
-9.79 |
-1.33 |
0 |
|
|
24977 |
615909 |
1 |
NO2H21C26 |
AB2C21D26 |
-3.09 |
2.62 |
-9.17 |
-0.21 |
0 |
|
|
24978 |
615911 |
1 |
IN2O2H13C15 |
AB2C2D13E15 |
5.74 |
3.87 |
-8.96 |
-0.91 |
0 |
|
|
24979 |
615967 |
1 |
NSiO2C16H23 |
ABC2D16E23 |
-105.83 |
6.07 |
-8.72 |
-1.08 |
0 |
|
|
24980 |
616007 |
1 |
SN2C13H16 |
AB2C13D16 |
73.41 |
4.36 |
-8.98 |
0.03 |
0 |
|
|
24981 |
616078 |
2 |
NH6C8 |
AB6C8 |
133.25 |
2.05 |
-9.5 |
-0.94 |
0 |
|
|
24982 |
616139 |
1 |
O2N3H17C22 |
A2B3C17D22 |
48.75 |
3.0 |
-8.68 |
-1.02 |
0 |
|
|
24983 |
616196 |
1 |
NO3C13H15 |
AB3C13D15 |
-114.3 |
4.67 |
-9.87 |
-0.23 |
0 |
|
|
24984 |
616258 |
1 |
Si2O3C17H38 |
A2B3C17D38 |
-300.44 |
2.1 |
-9.82 |
0.49 |
0 |
|
|
24985 |
616263 |
1 |
NO4H11C12 |
AB4C11D12 |
-97.23 |
2.28 |
-8.74 |
-1.55 |
0 |
|
|
24986 |
616264 |
1 |
NH15C17 |
AB15C17 |
75.1 |
2.45 |
-8.22 |
-0.09 |
0 |