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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
250900 |
103099820 |
1 |
ClNS2O4C11H14 |
ABC2D4E11F14 |
-139.78 |
4.32 |
-9.59 |
-1.3 |
0 |
|
|
250901 |
103099822 |
1 |
ClS2N4O4C10H11 |
AB2C4D4E10F11 |
-78.75 |
6.61 |
-9.66 |
-1.38 |
0 |
|
|
250902 |
103099850 |
1 |
ClNS2O5C11H14 |
ABC2D5E11F14 |
-173.85 |
4.99 |
-9.54 |
-1.28 |
0 |
|
|
250903 |
103099865 |
1 |
ClNO2S2C8H12 |
ABC2D2E8F12 |
-70.25 |
4.79 |
-9.38 |
-1.07 |
0 |
|
|
250904 |
103099867 |
1 |
ClN2O2S2C10H15 |
AB2C2D2E10F15 |
-52.46 |
6.4 |
-8.75 |
-1.19 |
0 |
|
|
250905 |
103099872 |
1 |
ClNO2S2C8H10 |
ABC2D2E8F10 |
-39.24 |
4.63 |
-9.45 |
-1.14 |
0 |
|
|
250906 |
103099876 |
1 |
ClNS2O3C12H12 |
ABC2D3E12F12 |
-38.03 |
5.19 |
-9.43 |
-1.29 |
0 |
|
|
250907 |
103099889 |
1 |
ClNO2S2C11H18 |
ABC2D2E11F18 |
-81.32 |
4.88 |
-9.39 |
-1.09 |
0 |
|
|
250908 |
103099890 |
1 |
ClNS2O3C11H16 |
ABC2D3E11F16 |
-88.43 |
5.17 |
-9.46 |
-1.15 |
0 |
|
|
250909 |
103099904 |
1 |
ClO2N3S3C12H16 |
AB2C3D3E12F16 |
-31.76 |
5.47 |
-9.02 |
-1.27 |
0 |
|
|
250910 |
103099921 |
1 |
ClN2O2S2C7H7 |
AB2C2D2E7F7 |
-20.85 |
4.76 |
-9.67 |
-1.42 |
0 |
|
|
250911 |
103099933 |
1 |
ClO2S2N3C12H16 |
AB2C2D3E12F16 |
-30.36 |
6.4 |
-9.06 |
-1.33 |
0 |
|
|
250912 |
103099937 |
1 |
ClN2O2S2C11H15 |
AB2C2D2E11F15 |
-44.69 |
3.81 |
-9.59 |
-1.31 |
0 |
|
|
250913 |
103099940 |
1 |
ClN2O2S2C9H11 |
AB2C2D2E9F11 |
-29.58 |
7.27 |
-9.62 |
-1.35 |
0 |
|
|
250914 |
103099948 |
1 |
ClN2O2S2H11C13 |
AB2C2D2E11F13 |
1.8 |
7.58 |
-9.57 |
-1.29 |
0 |
|
|
250915 |
103099950 |
1 |
ClN2O2S2C9H11 |
AB2C2D2E9F11 |
-34.52 |
2.67 |
-9.46 |
-1.18 |
0 |
|
|
250916 |
103099957 |
1 |
ClN2O2S2C10H13 |
AB2C2D2E10F13 |
-40.15 |
7.02 |
-9.62 |
-1.33 |
0 |
|
|
250917 |
103099975 |
2 |
ClNOSH4C6 |
ABCDE4F6 |
-7.49 |
5.54 |
-9.31 |
-1.54 |
0 |
|
|
250918 |
103099979 |
1 |
BrClN2O2S2H8C12 |
ABC2D2E2F8G12 |
3.26 |
5.77 |
-9.3 |
-1.61 |
0 |
|
|
250919 |
103099981 |
1 |
ClN2S2O3H11C13 |
AB2C2D3E11F13 |
-37.38 |
4.6 |
-8.82 |
-1.44 |
0 |
|
|
250920 |
103100003 |
1 |
ClN2O2S3C11H15 |
AB2C2D3E11F15 |
-29.55 |
6.82 |
-9.01 |
-1.05 |
0 |
|
|
250921 |
103100018 |
1 |
ClN2O2S3C13H13 |
AB2C2D3E13F13 |
-16.46 |
5.91 |
-8.61 |
-1.32 |
0 |
|
|
250922 |
103100020 |
1 |
ClO2N3S3C11H16 |
AB2C3D3E11F16 |
-39.88 |
3.12 |
-8.68 |
-1.3 |
0 |
|
|
250923 |
103100023 |
1 |
ClN2O2S3C10H13 |
AB2C2D3E10F13 |
-48.61 |
6.84 |
-8.4 |
-1.53 |
0 |
|
|
250924 |
103100047 |
1 |
ClNS2O4C10H16 |
ABC2D4E10F16 |
-145.25 |
6.82 |
-9.45 |
-1.13 |
0 |
|
|
250925 |
103100059 |
1 |
ClNS2O4C12H16 |
ABC2D4E12F16 |
-148.76 |
3.85 |
-9.31 |
-0.99 |
0 |
|
|
250926 |
103100060 |
1 |
ClNS2O3C10H12 |
ABC2D3E10F12 |
-93.86 |
5.79 |
-9.56 |
-1.33 |
0 |
|
|
250927 |
103100084 |
1 |
BrNCl2O2S2H8C11 |
ABC2D2E2F8G11 |
-37.31 |
5.15 |
-9.12 |
-1.46 |
0 |
|
|
250928 |
103100089 |
1 |
BrClNF2O2S2H7C11 |
ABCD2E2F2G7H11 |
-114.65 |
4.38 |
-9.54 |
-1.31 |
0 |
|
|
250929 |
103100119 |
1 |
ClNS2O3H10C11 |
ABC2D3E10F11 |
-72.89 |
5.91 |
-8.58 |
-1.22 |
0 |
|
|
250930 |
103100134 |
1 |
ClNS2O3C12H12 |
ABC2D3E12F12 |
-80.83 |
4.6 |
-8.92 |
-1.19 |
0 |
|
|
250931 |
103100155 |
1 |
FNCl2S2O3H8C11 |
ABC2D2E3F8G11 |
-125.91 |
3.96 |
-9.25 |
-1.49 |
0 |
|
|
250932 |
103100177 |
1 |
ClNS2O3C10H14 |
ABC2D3E10F14 |
-115.39 |
4.87 |
-9.47 |
-1.16 |
0 |
|
|
250933 |
103100183 |
1 |
ClNS2O3C9H14 |
ABC2D3E9F14 |
-110.02 |
4.77 |
-9.55 |
-1.26 |
0 |
|
|
250934 |
103100184 |
1 |
ClNS2O3C8H12 |
ABC2D3E8F12 |
-104.11 |
5.35 |
-9.56 |
-1.27 |
0 |
|
|
250935 |
103100186 |
1 |
ClNS2O3C11H18 |
ABC2D3E11F18 |
-121.77 |
2.71 |
-9.4 |
-1.1 |
0 |
|
|
250936 |
103100208 |
1 |
ClNS2O3C13H14 |
ABC2D3E13F14 |
-77.42 |
5.91 |
-9.55 |
-1.29 |
0 |
|
|
250937 |
103100215 |
1 |
ClNS2O3C10H16 |
ABC2D3E10F16 |
-121.28 |
5.94 |
-9.52 |
-1.21 |
0 |
|
|
250938 |
103100224 |
1 |
ClNS2O3C14H22 |
ABC2D3E14F22 |
-134.01 |
6.8 |
-9.62 |
-1.3 |
0 |
|
|
250939 |
103100234 |
1 |
ClNS2O3C11H16 |
ABC2D3E11F16 |
-103.63 |
4.96 |
-9.53 |
-1.26 |
0 |
|
|
250940 |
103100235 |
1 |
ClNS2O3C11H14 |
ABC2D3E11F14 |
-71.69 |
3.85 |
-9.46 |
-1.16 |
0 |
|
|
250941 |
103100244 |
1 |
ClNS2O3C9H12 |
ABC2D3E9F12 |
-103.64 |
4.75 |
-9.48 |
-1.23 |
0 |
|
|
250942 |
103100261 |
1 |
ClNS2O3C9H14 |
ABC2D3E9F14 |
-116.38 |
4.26 |
-9.52 |
-1.24 |
0 |
|
|
250943 |
103100263 |
1 |
ClNS2O3C13H20 |
ABC2D3E13F20 |
-124.59 |
4.99 |
-9.37 |
-1.07 |
0 |
|
|
250944 |
103100277 |
1 |
ClNS2O3C9H12 |
ABC2D3E9F12 |
-85.59 |
6.05 |
-9.48 |
-1.19 |
0 |
|
|
250945 |
103100280 |
1 |
ClNS2O4C10H14 |
ABC2D4E10F14 |
-144.83 |
3.31 |
-9.48 |
-1.22 |
0 |
|
|
250946 |
103100282 |
1 |
ClNS2O4C12H18 |
ABC2D4E12F18 |
-158.13 |
3.52 |
-9.44 |
-1.22 |
0 |
|
|
250947 |
103100297 |
1 |
ClNS2O3C13H20 |
ABC2D3E13F20 |
-131.29 |
4.31 |
-9.43 |
-1.12 |
0 |
|
|
250948 |
103100302 |
1 |
ClO2S2N3C10H12 |
AB2C2D3E10F12 |
-25.58 |
3.65 |
-9.46 |
-1.15 |
0 |
|
|
250949 |
103100309 |
1 |
ClN2S2O3H11C13 |
AB2C2D3E11F13 |
-67.64 |
5.13 |
-8.79 |
-1.38 |
0 |
|
|
250950 |
103100318 |
1 |
ClO2S2N4C9H11 |
AB2C2D4E9F11 |
-4.76 |
6.08 |
-9.76 |
-1.48 |
0 |
|
|
250951 |
103100324 |
1 |
ClN2S2O3C13H17 |
AB2C2D3E13F17 |
-113.43 |
7.16 |
-9.54 |
-1.26 |
0 |
|
|
250952 |
103100326 |
1 |
ClN2S2O4C10H11 |
AB2C2D4E10F11 |
-139.63 |
7.3 |
-9.81 |
-1.59 |
0 |
|
|
250953 |
103100332 |
1 |
ClS2O3N4C8H9 |
AB2C3D4E8F9 |
-34.88 |
5.83 |
-9.03 |
-1.68 |
0 |
|
|
250954 |
103100348 |
1 |
ClN2O2S2C12H17 |
AB2C2D2E12F17 |
-66.07 |
2.72 |
-9.12 |
-1.15 |
0 |
|
|
250955 |
103100349 |
1 |
ClN2O2S2C12H19 |
AB2C2D2E12F19 |
-73.64 |
6.36 |
-9.32 |
-1.2 |
0 |
|
|
250956 |
103100362 |
1 |
ClN2O2S2C13H15 |
AB2C2D2E13F15 |
-26.83 |
4.68 |
-9.1 |
-1.29 |
0 |
|
|
250957 |
103100363 |
1 |
ClN2O2S2C13H15 |
AB2C2D2E13F15 |
-28.63 |
6.4 |
-9.22 |
-1.06 |
0 |
|
|
250958 |
103100365 |
1 |
ClN2O2S2C14H17 |
AB2C2D2E14F17 |
-33.57 |
3.74 |
-8.98 |
-1.21 |
0 |
|
|
250959 |
103100366 |
1 |
ClN2O2S2C10H17 |
AB2C2D2E10F17 |
-65.85 |
4.68 |
-9.07 |
-1.13 |
0 |
|
|
250960 |
103100367 |
1 |
ClN2O2S2C11H19 |
AB2C2D2E11F19 |
-72.31 |
6.08 |
-9.02 |
-1.15 |
0 |
|
|
250961 |
103100379 |
1 |
ClN2O2S2C11H17 |
AB2C2D2E11F17 |
-73.46 |
3.3 |
-9.38 |
-1.17 |
0 |
|
|
250962 |
103100407 |
1 |
ClN2O2S2C9H15 |
AB2C2D2E9F15 |
-69.37 |
5.94 |
-9.32 |
-1.02 |
0 |
|
|
250963 |
103100409 |
1 |
ClN2O2S2C12H13 |
AB2C2D2E12F13 |
-32.05 |
3.92 |
-8.77 |
-1.31 |
0 |
|
|
250964 |
103100421 |
1 |
ClN2O2S2C11H17 |
AB2C2D2E11F17 |
-64.81 |
3.13 |
-9.25 |
-1.17 |
0 |
|
|
250965 |
103100433 |
1 |
ClN2O2S2C14H15 |
AB2C2D2E14F15 |
-37.51 |
6.79 |
-8.25 |
-1.19 |
0 |
|
|
250966 |
103100436 |
1 |
ClN2O2S2C12H19 |
AB2C2D2E12F19 |
-77.5 |
3.7 |
-9.36 |
-1.07 |
0 |
|
|
250967 |
103100451 |
1 |
ClN2O2S2C10H15 |
AB2C2D2E10F15 |
-58.15 |
5.4 |
-9.16 |
-1.14 |
0 |
|
|
250968 |
103100453 |
1 |
ClN2O2S2C14H21 |
AB2C2D2E14F21 |
-68.71 |
5.34 |
-9.05 |
-1.06 |
0 |
|
|
250969 |
103100455 |
1 |
ClN2S2O4C10H13 |
AB2C2D4E10F13 |
-131.36 |
10.49 |
-9.21 |
-1.62 |
0 |
|
|
250970 |
103100466 |
1 |
ClN2O2S2C8H11 |
AB2C2D2E8F11 |
-37.48 |
3.89 |
-9.43 |
-1.26 |
0 |
|
|
250971 |
103100479 |
1 |
ClN2O2S2C14H23 |
AB2C2D2E14F23 |
-78.65 |
6.84 |
-9.16 |
-1.13 |
0 |
|
|
250972 |
103100480 |
1 |
ClO2S2N4C10H13 |
AB2C2D4E10F13 |
-17.73 |
3.78 |
-8.6 |
-1.21 |
0 |
|
|
250973 |
103100483 |
1 |
ClN2O2S2C13H23 |
AB2C2D2E13F23 |
-79.44 |
5.89 |
-9.12 |
-1.15 |
0 |
|
|
250974 |
103100498 |
1 |
ClN2O2S2C10H15 |
AB2C2D2E10F15 |
-59.77 |
5.47 |
-9.3 |
-1.2 |
0 |