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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
361889 |
127304885 |
1 |
SO2N5C17H29 |
AB2C5D17E29 |
-59.98 |
0.91 |
-8.71 |
-0.08 |
0 |
|
|
361890 |
127304886 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-58.15 |
6.1 |
-8.75 |
-1.2 |
0 |
|
|
361891 |
127304887 |
1 |
ClN2O4C20H27 |
AB2C4D20E27 |
-151.93 |
5.16 |
-8.59 |
0.03 |
0 |
|
|
361892 |
127304888 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-128.04 |
7.39 |
-8.79 |
0.03 |
0 |
|
|
361893 |
127304889 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-112.6 |
5.16 |
-8.39 |
-0.87 |
0 |
|
|
361894 |
127304890 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-142.21 |
4.2 |
-8.79 |
0.35 |
0 |
|
|
361895 |
127304891 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-127.52 |
4.71 |
-9.02 |
0.41 |
0 |
|
|
361896 |
127304892 |
1 |
N3O4C21H33 |
A3B4C21D33 |
-198.25 |
7.16 |
-8.67 |
-0.03 |
0 |
|
|
361897 |
127304893 |
1 |
N4O4C19H30 |
A4B4C19D30 |
-192.81 |
7.61 |
-8.5 |
-0.06 |
0 |
|
|
361898 |
127304894 |
1 |
O3N5C19H31 |
A3B5C19D31 |
-98.01 |
3.72 |
-8.89 |
0.22 |
0 |
|
|
361899 |
127304895 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-171.2 |
1.75 |
-8.92 |
0.89 |
0 |
|
|
361900 |
127304896 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-170.86 |
6.09 |
-8.97 |
0.84 |
0 |
|
|
361901 |
127304897 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-172.51 |
2.42 |
-8.61 |
0.88 |
0 |
|
|
361902 |
127304898 |
1 |
SN3O4C16H29 |
AB3C4D16E29 |
-178.13 |
8.3 |
-8.78 |
0.56 |
0 |
|
|
361903 |
127304899 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-126.42 |
2.23 |
-8.68 |
0.02 |
0 |
|
|
361904 |
127304900 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-157.29 |
3.25 |
-8.61 |
-0.39 |
0 |
|
|
361905 |
127304901 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-114.28 |
2.04 |
-8.96 |
-0.76 |
0 |
|
|
361906 |
127304902 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-125.91 |
7.25 |
-8.9 |
-0.12 |
0 |
|
|
361907 |
127304903 |
1 |
FN3O3C20H26 |
AB3C3D20E26 |
-167.45 |
5.85 |
-8.74 |
-0.4 |
0 |
|
|
361908 |
127304904 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-142.43 |
6.95 |
-8.76 |
0.14 |
0 |
|
|
361909 |
127304905 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-149.49 |
4.85 |
-8.33 |
-0.46 |
0 |
|
|
361910 |
127304906 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-146.26 |
3.33 |
-8.9 |
-1.46 |
0 |
|
|
361911 |
127304907 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-171.08 |
5.9 |
-8.59 |
0.92 |
0 |
|
|
361912 |
127304908 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-113.98 |
5.97 |
-8.38 |
-0.99 |
0 |
|
|
361913 |
127304909 |
1 |
FN3O3C21H28 |
AB3C3D21E28 |
-156.24 |
7.42 |
-8.65 |
-0.23 |
0 |
|
|
361914 |
127304910 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-145.03 |
8.19 |
-8.85 |
0.04 |
0 |
|
|
361915 |
127304911 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-152.75 |
3.64 |
-8.73 |
-0.7 |
0 |
|
|
361916 |
127304912 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-142.26 |
4.32 |
-8.78 |
0.36 |
0 |
|
|
361917 |
127304913 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-105.78 |
4.32 |
-8.86 |
-0.21 |
0 |
|
|
361918 |
127304914 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-157.23 |
6.75 |
-9.01 |
-0.13 |
0 |
|
|
361919 |
127304915 |
2 |
NO2C11H16 |
AB2C11D16 |
-157.31 |
2.96 |
-8.47 |
-0.16 |
0 |
|
|
361920 |
127304916 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-150.53 |
6.36 |
-9.26 |
0.27 |
0 |
|
|
361921 |
127304917 |
1 |
FSN2O5C16H21 |
ABC2D5E16F21 |
-237.71 |
6.95 |
-9.24 |
-0.47 |
0 |
|
|
361922 |
127304918 |
1 |
FON4C23H23 |
ABC4D23E23 |
-16.87 |
5.35 |
-8.81 |
-0.4 |
0 |
|
|
361923 |
127304919 |
1 |
FON5C22H22 |
ABC5D22E22 |
0.43 |
3.22 |
-8.83 |
-0.8 |
0 |
|
|
361924 |
127304920 |
1 |
FN2O3C22H29 |
AB2C3D22E29 |
-164.59 |
2.69 |
-8.69 |
-0.28 |
0 |
|
|
361925 |
127304921 |
1 |
FN2O3H21C22 |
AB2C3D21E22 |
-107.74 |
3.12 |
-8.73 |
-0.32 |
0 |
|
|
361926 |
127304922 |
1 |
FN2O3H21C22 |
AB2C3D21E22 |
-107.16 |
1.88 |
-8.76 |
-0.34 |
0 |
|
|
361927 |
127304923 |
1 |
FOSN4C21H23 |
ABCD4E21F23 |
-26.12 |
1.68 |
-8.68 |
-0.35 |
0 |
|
|
361928 |
127304924 |
1 |
FON4C21H23 |
ABC4D21E23 |
-5.8 |
3.98 |
-8.7 |
-0.28 |
0 |
|
|
361929 |
127304925 |
1 |
FO2N3H22C23 |
AB2C3D22E23 |
-88.11 |
3.32 |
-8.83 |
-0.51 |
0 |
|
|
361930 |
127304926 |
1 |
FN2O3C23H23 |
AB2C3D23E23 |
-111.65 |
3.12 |
-8.69 |
-0.28 |
0 |
|
|
361931 |
127304927 |
1 |
FN2O3H21C22 |
AB2C3D21E22 |
-105.69 |
3.18 |
-8.72 |
-0.31 |
0 |
|
|
361932 |
127304928 |
1 |
FSN3O3C19H24 |
ABC3D3E19F24 |
-145.67 |
6.47 |
-8.81 |
-0.4 |
0 |
|
|
361933 |
127304929 |
1 |
FO2N4H21C22 |
AB2C4D21E22 |
-16.74 |
4.48 |
-8.88 |
-1.19 |
0 |
|
|
361934 |
127304930 |
2 |
NOC10H14 |
ABC10D14 |
-107.26 |
4.22 |
-9.24 |
0.29 |
0 |
|
|
361935 |
127304931 |
1 |
N2O2C21H30 |
A2B2C21D30 |
-108.84 |
5.75 |
-9.4 |
0.09 |
0 |
|
|
361936 |
127304932 |
2 |
NOC10H14 |
ABC10D14 |
-105.2 |
3.61 |
-9.04 |
0.46 |
0 |
|
|
361937 |
127304933 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-108.05 |
3.37 |
-9.15 |
-0.39 |
0 |
|
|
361938 |
127304934 |
1 |
SN2O3C19H28 |
AB2C3D19E28 |
-141.11 |
5.7 |
-9.04 |
0.03 |
0 |
|
|
361939 |
127304935 |
1 |
OSN3C13H13 |
ABC3D13E13 |
34.92 |
1.04 |
-9.19 |
-1.43 |
0 |
|
|
361940 |
127304936 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-103.39 |
8.85 |
-8.96 |
-1.15 |
0 |
|
|
361941 |
127304937 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-99.84 |
4.45 |
-9.04 |
0.47 |
0 |
|
|
361942 |
127304938 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-117.76 |
9.26 |
-8.94 |
-1.08 |
0 |
|
|
361943 |
127304939 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-38.77 |
6.05 |
-9.06 |
-1.32 |
0 |
|
|
361944 |
127304940 |
1 |
ON3C17H19 |
AB3C17D19 |
14.52 |
5.11 |
-9.0 |
0.07 |
0 |
|
|
361945 |
127304941 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
-33.87 |
3.14 |
-9.18 |
-0.96 |
0 |
|
|
361946 |
127304942 |
1 |
N2O2C17H18 |
A2B2C17D18 |
10.8 |
2.82 |
-9.13 |
-0.56 |
0 |
|
|
361947 |
127304943 |
2 |
NOC10H11 |
ABC10D11 |
-57.63 |
7.92 |
-9.17 |
-0.06 |
0 |
|
|
361948 |
127304944 |
1 |
ON3C17H19 |
AB3C17D19 |
28.31 |
5.45 |
-9.0 |
-0.02 |
0 |
|
|
361949 |
127304945 |
1 |
BrON3C17H18 |
ABC3D17E18 |
34.05 |
5.87 |
-9.04 |
-0.23 |
0 |
|
|
361950 |
127304946 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-78.2 |
1.44 |
-9.31 |
0.18 |
0 |
|
|
361951 |
127304947 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-124.54 |
1.52 |
-9.31 |
0.2 |
0 |
|
|
361952 |
127304948 |
1 |
O2N3C19H31 |
A2B3C19D31 |
-66.26 |
1.7 |
-8.56 |
-0.34 |
0 |
|
|
361953 |
127304949 |
1 |
SN3O3C16H31 |
AB3C3D16E31 |
-158.39 |
4.12 |
-8.51 |
0.05 |
0 |
|
|
361954 |
127304950 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-83.27 |
2.54 |
-8.71 |
-0.81 |
0 |
|
|
361955 |
127304951 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-127.46 |
3.94 |
-8.51 |
-0.36 |
0 |
|
|
361956 |
127304952 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-119.47 |
6.68 |
-8.76 |
0.04 |
0 |
|
|
361957 |
127304953 |
1 |
ON4C18H30 |
AB4C18D30 |
-31.31 |
5.1 |
-8.46 |
0.16 |
0 |
|
|
361958 |
127304954 |
1 |
SO2N3C19H33 |
AB2C3D19E33 |
-128.95 |
4.16 |
-8.51 |
-0.06 |
0 |
|
|
361959 |
127304955 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-152.56 |
1.84 |
-8.49 |
-1.03 |
0 |
|
|
361960 |
127304956 |
1 |
O3N4C21H36 |
A3B4C21D36 |
-175.14 |
3.1 |
-8.88 |
0.32 |
0 |
|
|
361961 |
127304957 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-124.45 |
4.72 |
-8.65 |
-0.73 |
0 |
|
|
361962 |
127304974 |
1 |
ClFSN2O3C17H22 |
ABCD2E3F17G22 |
-174.02 |
6.08 |
-9.33 |
-0.5 |
0 |
|
|
361963 |
127304975 |
1 |
ClFO2N3C17H21 |
ABC2D3E17F21 |
-130.82 |
1.92 |
-9.21 |
-0.45 |
0 |
|
|
361964 |
127304976 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-149.63 |
5.92 |
-9.26 |
0.88 |
0 |
|
|
361965 |
127304977 |
2 |
NOC7H12 |
ABC7D12 |
-120.03 |
3.22 |
-9.39 |
0.87 |
0 |
|
|
361966 |
127304978 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-154.84 |
9.49 |
-8.66 |
0.75 |
0 |
|
|
361967 |
127304979 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-146.02 |
8.62 |
-9.12 |
0.72 |
0 |
|
|
361968 |
127304980 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-115.16 |
5.17 |
-9.23 |
1.0 |
0 |
|
|
361969 |
127304981 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-123.39 |
4.78 |
-9.24 |
0.98 |
0 |
|
|
361970 |
127304982 |
2 |
ON2C8H10 |
AB2C8D10 |
-45.39 |
2.64 |
-9.01 |
-0.9 |
0 |
|
|
361971 |
127304983 |
1 |
O2N5C21H23 |
A2B5C21D23 |
-1.75 |
2.87 |
-8.86 |
-1.07 |
0 |
|
|
361972 |
127304984 |
1 |
ON4C19H32 |
AB4C19D32 |
-44.89 |
3.33 |
-8.73 |
0.58 |
0 |
|
|
361973 |
127304985 |
1 |
O2N4C19H34 |
A2B4C19D34 |
-122.88 |
2.76 |
-8.52 |
0.9 |
0 |
|
|
361974 |
127304986 |
1 |
O3N4C16H28 |
A3B4C16D28 |
-141.75 |
4.68 |
-8.81 |
-0.06 |
0 |
|
|
361975 |
127304987 |
1 |
SN3O3C19H31 |
AB3C3D19E31 |
-132.29 |
8.02 |
-8.68 |
-0.62 |
0 |
|
|
361976 |
127304988 |
1 |
FO2N3C19H26 |
AB2C3D19E26 |
-127.38 |
5.65 |
-8.74 |
-0.09 |
0 |
|
|
361977 |
127304989 |
1 |
OS2N4C18H26 |
AB2C4D18E26 |
-21.12 |
5.74 |
-8.79 |
-0.99 |
0 |
|
|
361978 |
127304990 |
1 |
SO2N4C17H26 |
AB2C4D17E26 |
-77.16 |
9.41 |
-8.34 |
-0.74 |
0 |
|
|
361979 |
127304991 |
1 |
FON4C19H25 |
ABC4D19E25 |
-61.32 |
7.26 |
-8.81 |
-1.25 |
0 |
|
|
361980 |
127304992 |
1 |
SN3O3C16H31 |
AB3C3D16E31 |
-160.37 |
5.06 |
-8.6 |
0.14 |
0 |
|
|
361981 |
127304993 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-128.48 |
2.29 |
-8.79 |
-0.03 |
0 |
|
|
361982 |
127304994 |
1 |
SN2O3C20H30 |
AB2C3D20E30 |
-127.86 |
5.02 |
-8.96 |
-0.8 |
0 |
|
|
361983 |
127304995 |
1 |
SN3O3C17H33 |
AB3C3D17E33 |
-173.79 |
4.18 |
-8.56 |
0.22 |
0 |
|
|
361984 |
127305330 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-176.01 |
7.6 |
-9.13 |
0.06 |
0 |
|
|
361985 |
127305331 |
1 |
N4O4C13H20 |
A4B4C13D20 |
-142.12 |
3.56 |
-8.78 |
-0.52 |
0 |
|
|
361986 |
127305332 |
1 |
ClN3O3C20H24 |
AB3C3D20E24 |
-73.07 |
3.59 |
-9.62 |
-0.53 |
0 |
|
|
361987 |
127305333 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-105.64 |
2.99 |
-9.42 |
0.67 |
0 |
|
|
361988 |
127305334 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-79.1 |
10.23 |
-9.18 |
-0.88 |
0 |