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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121862 |
50784500 |
1 |
O2N5H21C26 |
A2B5C21D26 |
52.42 |
1.95 |
-8.85 |
-0.89 |
0 |
|
|
121863 |
50784548 |
1 |
ClSN4O4C22H25 |
ABC4D4E22F25 |
-121.39 |
4.45 |
-8.9 |
-0.64 |
0 |
|
|
121864 |
50784549 |
1 |
SN3O6C19H19 |
AB3C6D19E19 |
-180.75 |
2.71 |
-9.02 |
-0.92 |
0 |
|
|
121865 |
50784561 |
1 |
SN3O5C19H19 |
AB3C5D19E19 |
-155.89 |
5.57 |
-9.27 |
-1.12 |
0 |
|
|
121866 |
50784562 |
1 |
SN3O4C18H19 |
AB3C4D18E19 |
-122.3 |
3.12 |
-8.72 |
-0.97 |
0 |
|
|
121867 |
50784590 |
1 |
SN3O4C19H21 |
AB3C4D19E21 |
-131.3 |
2.26 |
-8.71 |
-0.98 |
0 |
|
|
121868 |
50784626 |
1 |
SF3N4O4C21H21 |
AB3C4D4E21F21 |
-223.74 |
4.96 |
-9.42 |
-1.06 |
0 |
|
|
121869 |
50784636 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-48.05 |
8.41 |
-8.43 |
-0.63 |
0 |
|
|
121870 |
50784644 |
1 |
SN3O5C21H23 |
AB3C5D21E23 |
-162.54 |
1.41 |
-9.12 |
-1.02 |
0 |
|
|
121871 |
50784671 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-44.08 |
8.52 |
-8.62 |
-0.67 |
0 |
|
|
121872 |
50784748 |
1 |
SO3N4C17H18 |
AB3C4D17E18 |
-5.25 |
3.71 |
-8.6 |
-1.09 |
0 |
|
|
121873 |
50784816 |
1 |
ClFSN4O4C20H20 |
ABCD4E4F20G20 |
-118.91 |
2.13 |
-9.79 |
-1.17 |
0 |
|
|
121874 |
50784905 |
1 |
SO4N5C19H19 |
AB4C5D19E19 |
-79.18 |
6.83 |
-8.45 |
-1.33 |
0 |
|
|
121875 |
50784906 |
1 |
SO4N5C20H21 |
AB4C5D20E21 |
-88.72 |
5.51 |
-8.35 |
-1.25 |
0 |
|
|
121876 |
50784907 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
-30.08 |
5.75 |
-8.79 |
-1.23 |
0 |
|
|
121877 |
50785041 |
1 |
SO4N5C20H23 |
AB4C5D20E23 |
-91.93 |
9.33 |
-8.49 |
-1.16 |
0 |
|
|
121878 |
50785153 |
1 |
ClSO2N5C17H18 |
ABC2D5E17F18 |
-26.63 |
5.51 |
-8.92 |
-1.2 |
0 |
|
|
121879 |
50785182 |
1 |
FSO2N5C17H18 |
ABC2D5E17F18 |
-65.78 |
8.01 |
-8.91 |
-1.19 |
0 |
|
|
121880 |
50785183 |
1 |
ClSO2N5C18H20 |
ABC2D5E18F20 |
-37.85 |
8.4 |
-8.77 |
-1.18 |
0 |
|
|
121881 |
50785184 |
1 |
ClSO4N5C19H20 |
ABC4D5E19F20 |
-97.83 |
3.83 |
-8.78 |
-1.15 |
0 |
|
|
121882 |
50785185 |
1 |
BrFSO3N5H15C17 |
ABCD3E5F15G17 |
-84.41 |
4.11 |
-9.18 |
-1.53 |
0 |
|
|
121883 |
50785186 |
1 |
SO3N5C19H21 |
AB3C5D19E21 |
-55.26 |
4.38 |
-9.04 |
-1.34 |
0 |
|
|
121884 |
50785278 |
1 |
SN5O5H19C21 |
AB5C5D19E21 |
-55.18 |
6.59 |
-9.09 |
-1.52 |
0 |
|
|
121885 |
50785279 |
1 |
FSO2N5H14C19 |
ABC2D5E14F19 |
22.17 |
5.65 |
-9.07 |
-1.5 |
0 |
|
|
121886 |
50785280 |
1 |
SO2N5H19C21 |
AB2C5D19E21 |
44.12 |
5.13 |
-8.9 |
-1.35 |
0 |
|
|
121887 |
50785486 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
9.56 |
4.26 |
-8.91 |
-1.26 |
0 |
|
|
121888 |
50785578 |
1 |
S2O4N5C21H21 |
A2B4C5D21E21 |
-51.32 |
4.91 |
-8.51 |
-1.7 |
0 |
|
|
121889 |
50785600 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-21.48 |
4.12 |
-8.81 |
-0.64 |
0 |
|
|
121890 |
50785619 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-71.67 |
2.73 |
-8.43 |
-0.41 |
0 |
|
|
121891 |
50785664 |
1 |
S2O4N5C22H23 |
A2B4C5D22E23 |
-52.45 |
1.92 |
-8.9 |
-1.67 |
0 |
|
|
121892 |
50785677 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-13.15 |
5.2 |
-8.22 |
-0.33 |
0 |
|
|
121893 |
50785754 |
2 |
ON3C14H20 |
AB3C14D20 |
-27.19 |
4.44 |
-8.25 |
-0.42 |
0 |
|
|
121894 |
50785793 |
1 |
ClFO2N5C21H25 |
ABC2D5E21F25 |
-70.23 |
4.61 |
-8.28 |
-0.59 |
0 |
|
|
121895 |
50785835 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-61.69 |
5.93 |
-8.51 |
-0.61 |
0 |
|
|
121896 |
50785899 |
1 |
OSN4H18C21 |
ABC4D18E21 |
114.34 |
4.19 |
-8.92 |
-1.08 |
0 |
|
|
121897 |
50785901 |
1 |
SO3N5H21C25 |
AB3C5D21E25 |
16.34 |
3.04 |
-8.76 |
-1.56 |
0 |
|
|
121898 |
50785954 |
1 |
SO2N4C24H24 |
AB2C4D24E24 |
-9.65 |
4.05 |
-8.81 |
-0.66 |
0 |
|
|
121899 |
50785973 |
1 |
SO4N5H21C26 |
AB4C5D21E26 |
-18.92 |
3.87 |
-8.36 |
-1.34 |
0 |
|
|
121900 |
50786085 |
1 |
SN3O4H23C24 |
AB3C4D23E24 |
-24.96 |
6.73 |
-8.74 |
-1.32 |
0 |
|
|
121901 |
50786166 |
1 |
FOSN6H21C24 |
ABCD6E21F24 |
55.7 |
5.1 |
-8.99 |
-1.49 |
0 |
|
|
121902 |
50786171 |
1 |
BrOSN6H19C23 |
ABCD6E19F23 |
110.27 |
3.33 |
-8.92 |
-1.41 |
0 |
|
|
121903 |
50786172 |
1 |
SO2N6C27H28 |
AB2C6D27E28 |
53.81 |
5.86 |
-8.65 |
-1.48 |
0 |
|
|
121904 |
50786219 |
1 |
SO2N6C27H28 |
AB2C6D27E28 |
55.77 |
7.51 |
-8.64 |
-1.49 |
0 |
|
|
121905 |
50786263 |
1 |
FOSN6H19C23 |
ABCD6E19F23 |
61.99 |
6.34 |
-8.9 |
-1.46 |
0 |
|
|
121906 |
50786264 |
1 |
OS2N6H22C24 |
AB2C6D22E24 |
107.79 |
4.66 |
-8.3 |
-1.48 |
0 |
|
|
121907 |
50786330 |
1 |
ClOSN6H17C22 |
ABCD6E17F22 |
110.68 |
5.69 |
-9.01 |
-1.56 |
0 |
|
|
121908 |
50786331 |
1 |
ClOSN6H17C22 |
ABCD6E17F22 |
110.72 |
5.54 |
-9.03 |
-1.58 |
0 |
|
|
121909 |
50786332 |
1 |
ClFOSN6H16C22 |
ABCDE6F16G22 |
64.89 |
2.51 |
-8.84 |
-1.29 |
0 |
|
|
121910 |
50786403 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
4.9 |
3.6 |
-8.94 |
-1.87 |
0 |
|
|
121911 |
50786486 |
1 |
OSN6H24C25 |
ABC6D24E25 |
95.59 |
4.47 |
-8.79 |
-1.5 |
0 |
|
|
121912 |
50786487 |
1 |
OSN6H24C25 |
ABC6D24E25 |
93.99 |
4.09 |
-8.87 |
-1.42 |
0 |
|
|
121913 |
50786488 |
1 |
OSN6H22C24 |
ABC6D22E24 |
101.11 |
4.86 |
-8.59 |
-1.42 |
0 |
|
|
121914 |
50786489 |
1 |
OSN6H22C24 |
ABC6D22E24 |
99.49 |
2.76 |
-8.82 |
-1.39 |
0 |
|
|
121915 |
50786490 |
1 |
FOSN6H19C23 |
ABCD6E19F23 |
67.62 |
3.45 |
-9.05 |
-1.48 |
0 |
|
|
121916 |
50786509 |
1 |
OSN6H24C25 |
ABC6D24E25 |
91.53 |
3.1 |
-8.78 |
-1.27 |
0 |
|
|
121917 |
50786561 |
1 |
SO3N5C22H23 |
AB3C5D22E23 |
-27.29 |
3.49 |
-9.27 |
-1.81 |
0 |
|
|
121918 |
50786562 |
1 |
SO3N5C23H25 |
AB3C5D23E25 |
-29.78 |
1.34 |
-9.27 |
-1.78 |
0 |
|
|
121919 |
50786563 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
13.35 |
4.36 |
-9.29 |
-1.8 |
0 |
|
|
121920 |
50786565 |
1 |
SF2O3N5H17C24 |
AB2C3D5E17F24 |
-68.2 |
4.61 |
-9.42 |
-1.94 |
0 |
|
|
121921 |
50786614 |
1 |
ClSO3N5H18C24 |
ABC3D5E18F24 |
18.21 |
2.79 |
-9.38 |
-1.88 |
0 |
|
|
121922 |
50786615 |
1 |
ClSO4N5H16C22 |
ABC4D5E16F22 |
-12.37 |
3.58 |
-9.41 |
-1.94 |
0 |
|
|
121923 |
50786616 |
1 |
FSO2N4H17C21 |
ABC2D4E17F21 |
-6.17 |
2.5 |
-9.12 |
-1.2 |
0 |
|
|
121924 |
50786617 |
1 |
FSO2N6H15C21 |
ABC2D6E15F21 |
68.62 |
0.72 |
-9.32 |
-1.4 |
0 |
|
|
121925 |
50786618 |
1 |
FSO3N4H17C20 |
ABC3D4E17F20 |
-31.03 |
4.09 |
-8.45 |
-1.14 |
0 |
|
|
121926 |
50786619 |
1 |
ClFSO3N4H16C20 |
ABCD3E4F16G20 |
-38.63 |
5.01 |
-8.41 |
-1.07 |
0 |
|
|
121927 |
50786680 |
1 |
SO4N6H20C24 |
AB4C6D20E24 |
-5.6 |
4.62 |
-8.6 |
-1.92 |
0 |
|
|
121928 |
50786691 |
1 |
SO3N4C16H16 |
AB3C4D16E16 |
-28.91 |
3.12 |
-8.98 |
-1.0 |
0 |
|
|
121929 |
50786692 |
1 |
SN4O4H18C22 |
AB4C4D18E22 |
-13.46 |
5.17 |
-8.76 |
-1.1 |
0 |
|
|
121930 |
50786693 |
1 |
S2O3N4C15H16 |
A2B3C4D15E16 |
-37.14 |
4.14 |
-9.02 |
-1.19 |
0 |
|
|
121931 |
50786694 |
1 |
ClSO2N4H11C16 |
ABC2D4E11F16 |
53.98 |
3.11 |
-9.04 |
-1.28 |
0 |
|
|
121932 |
50786695 |
1 |
FSO2N4H11C16 |
ABC2D4E11F16 |
16.74 |
3.12 |
-8.98 |
-1.18 |
0 |
|
|
121933 |
50786702 |
1 |
FSO3N5H16C23 |
ABC3D5E16F23 |
-16.97 |
2.66 |
-9.13 |
-1.96 |
0 |
|
|
121934 |
50786703 |
1 |
FSO3N5H18C20 |
ABC3D5E18F20 |
-60.77 |
6.88 |
-9.24 |
-1.71 |
0 |
|
|
121935 |
50786779 |
1 |
FOSN4H15C19 |
ABCD4E15F19 |
35.94 |
3.17 |
-9.0 |
-1.16 |
0 |
|
|
121936 |
50786780 |
1 |
SO2N4H18C20 |
AB2C4D18E20 |
41.06 |
3.96 |
-8.86 |
-1.06 |
0 |
|
|
121937 |
50786790 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-29.6 |
4.97 |
-8.39 |
-0.89 |
0 |
|
|
121938 |
50786820 |
1 |
SF2O3N5H15C23 |
AB2C3D5E15F23 |
-65.67 |
3.38 |
-9.41 |
-2.02 |
0 |
|
|
121939 |
50786944 |
1 |
SN4O4C17H24 |
AB4C4D17E24 |
-107.22 |
2.17 |
-9.34 |
-0.76 |
0 |
|
|
121940 |
50787005 |
1 |
SN4O5C22H26 |
AB4C5D22E26 |
-111.35 |
5.83 |
-8.74 |
-1.22 |
0 |
|
|
121941 |
50787006 |
1 |
O2N7H19C22 |
A2B7C19D22 |
110.13 |
8.32 |
-9.38 |
-1.14 |
0 |
|
|
121942 |
50787046 |
1 |
O2N7H21C23 |
A2B7C21D23 |
108.37 |
5.85 |
-9.5 |
-1.17 |
0 |
|
|
121943 |
50787136 |
1 |
F2O2N7H13C20 |
A2B2C7D13E20 |
33.88 |
5.64 |
-9.98 |
-1.38 |
0 |
|
|
121944 |
50787450 |
1 |
N3O4C25H33 |
A3B4C25D33 |
-173.84 |
4.08 |
-9.24 |
-0.01 |
0 |
|
|
121945 |
50787451 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-174.11 |
8.07 |
-9.18 |
0.04 |
0 |
|
|
121946 |
50787453 |
2 |
N2O2C12H19 |
A2B2C12D19 |
-202.99 |
2.38 |
-8.7 |
0.06 |
0 |
|
|
121947 |
50787454 |
2 |
N2O2C12H19 |
A2B2C12D19 |
-196.44 |
6.63 |
-8.92 |
0.14 |
0 |
|
|
121948 |
50787455 |
1 |
ClSO3N5C22H26 |
ABC3D5E22F26 |
-54.09 |
6.27 |
-9.56 |
-1.05 |
0 |
|
|
121949 |
50787550 |
1 |
SO3N5C18H27 |
AB3C5D18E27 |
-81.25 |
8.17 |
-9.33 |
-1.13 |
0 |
|
|
121950 |
50787551 |
1 |
SO3N5C18H27 |
AB3C5D18E27 |
-79.12 |
5.84 |
-9.47 |
-1.12 |
0 |
|
|
121951 |
50787706 |
1 |
O3N6H22C23 |
A3B6C22D23 |
-12.39 |
7.73 |
-8.56 |
-1.14 |
0 |
|
|
121952 |
50787707 |
1 |
BrO3N6H19C21 |
AB3C6D19E21 |
-2.07 |
2.21 |
-8.77 |
-1.25 |
0 |
|
|
121953 |
50787708 |
1 |
BrO3N6H19C21 |
AB3C6D19E21 |
-3.04 |
5.18 |
-8.86 |
-1.34 |
0 |
|
|
121954 |
50787709 |
1 |
FO3N6H21C22 |
AB3C6D21E22 |
-52.88 |
3.58 |
-8.84 |
-1.28 |
0 |
|
|
121955 |
50787710 |
1 |
O3N6C23H24 |
A3B6C23D24 |
-13.2 |
5.2 |
-8.72 |
-1.2 |
0 |
|
|
121956 |
50787711 |
1 |
SO4N6C23H24 |
AB4C6D23E24 |
-40.62 |
2.71 |
-8.11 |
-1.24 |
0 |
|
|
121957 |
50787712 |
1 |
SO4N6C23H24 |
AB4C6D23E24 |
-43.3 |
4.42 |
-8.72 |
-1.33 |
0 |
|
|
121958 |
50787713 |
1 |
ClO2N6H17C19 |
AB2C6D17E19 |
26.89 |
4.99 |
-8.71 |
-1.24 |
0 |
|
|
121959 |
50787758 |
1 |
SO2N6C23H24 |
AB2C6D23E24 |
23.71 |
4.25 |
-8.86 |
-1.32 |
0 |
|
|
121960 |
50788024 |
1 |
ClON5H22C23 |
ABC5D22E23 |
39.85 |
2.94 |
-8.85 |
-0.65 |
0 |
|
|
121961 |
50788025 |
1 |
FON5H22C23 |
ABC5D22E23 |
1.29 |
3.76 |
-8.99 |
-0.45 |
0 |