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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
445895 |
135269888 |
1 |
O2N3C19H31 |
A2B3C19D31 |
-52.97 |
3.63 |
-8.56 |
0.31 |
0 |
|
|
445896 |
135269889 |
1 |
SO2N5C27H35 |
AB2C5D27E35 |
60.48 |
3.16 |
-8.43 |
-0.39 |
0 |
|
|
445897 |
135269891 |
1 |
ON3C26H37 |
AB3C26D37 |
-23.57 |
4.14 |
-8.53 |
0.11 |
0 |
|
|
445898 |
135269892 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-84.11 |
3.39 |
-8.37 |
-0.26 |
0 |
|
|
445899 |
135269893 |
1 |
O3N4H22C23 |
A3B4C22D23 |
-33.69 |
2.13 |
-8.99 |
-1.39 |
0 |
|
|
445900 |
135269894 |
1 |
O2F3N6H23C25 |
A2B3C6D23E25 |
-108.24 |
2.19 |
-9.72 |
-1.33 |
0 |
|
|
445901 |
135269898 |
1 |
O2N7C22H27 |
A2B7C22D27 |
60.76 |
3.12 |
-8.43 |
-0.82 |
0 |
|
|
445902 |
135269900 |
1 |
FO2N3C18H28 |
AB2C3D18E28 |
-101.35 |
6.15 |
-8.78 |
-0.47 |
0 |
|
|
445903 |
135269903 |
1 |
O3N5C25H27 |
A3B5C25D27 |
10.88 |
3.4 |
-8.93 |
-1.11 |
0 |
|
|
445904 |
135269908 |
1 |
OPSN6C26H31 |
ABCD6E26F31 |
46.66 |
2.98 |
-8.68 |
-0.87 |
0 |
|
|
445905 |
135269909 |
1 |
OSN5C24H29 |
ABC5D24E29 |
53.74 |
4.12 |
-8.24 |
-0.45 |
0 |
|
|
445906 |
135269910 |
1 |
O2N7C26H33 |
A2B7C26D33 |
24.23 |
3.64 |
-8.69 |
-0.7 |
0 |
|
|
445907 |
135269911 |
1 |
O2N3C18H29 |
A2B3C18D29 |
-51.25 |
4.94 |
-8.38 |
-0.48 |
0 |
|
|
445908 |
135269912 |
1 |
SO3N6C21H26 |
AB3C6D21E26 |
-10.53 |
5.36 |
-8.52 |
-1.39 |
0 |
|
|
445909 |
135269913 |
1 |
FO3N4C22H27 |
AB3C4D22E27 |
-101.79 |
5.47 |
-9.06 |
-0.5 |
0 |
|
|
445910 |
135269915 |
2 |
ON2C12H12 |
AB2C12D12 |
-5.77 |
4.06 |
-8.96 |
-1.36 |
0 |
|
|
445911 |
135269917 |
1 |
O2N5C18H19 |
A2B5C18D19 |
65.89 |
1.55 |
-8.04 |
-0.52 |
0 |
|
|
445912 |
135269918 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-16.58 |
4.42 |
-8.86 |
-0.61 |
0 |
|
|
445913 |
135269919 |
2 |
ON3H10C11 |
AB3C10D11 |
70.05 |
5.32 |
-8.87 |
-1.49 |
0 |
|
|
445914 |
135269920 |
2 |
NC9H15 |
AB9C15 |
-11.37 |
0.08 |
-8.05 |
0.53 |
0 |
|
|
445915 |
135269928 |
2 |
NC13H18 |
AB13C18 |
189.6 |
3.29 |
-9.0 |
-1.44 |
0 |
|
|
445916 |
135269929 |
1 |
FON5H20C21 |
ABC5D20E21 |
62.59 |
2.64 |
-8.74 |
-0.65 |
0 |
|
|
445917 |
135269930 |
1 |
SO2N6C21H24 |
AB2C6D21E24 |
59.11 |
5.55 |
-8.46 |
-1.05 |
0 |
|
|
445918 |
135269931 |
1 |
ON8C24H30 |
AB8C24D30 |
98.61 |
2.47 |
-8.01 |
-0.38 |
0 |
|
|
445919 |
135269935 |
1 |
S2O3N5C24H31 |
A2B3C5D24E31 |
-7.23 |
6.11 |
-8.51 |
-0.89 |
0 |
|
|
445920 |
135269936 |
1 |
ON6C20H22 |
AB6C20D22 |
92.18 |
7.63 |
-8.15 |
-0.58 |
0 |
|
|
445921 |
135269937 |
1 |
N4H18C19 |
A4B18C19 |
99.67 |
1.65 |
-8.32 |
-0.72 |
0 |
|
|
445922 |
135269939 |
1 |
O2N6C23H26 |
A2B6C23D26 |
52.13 |
3.6 |
-8.92 |
-1.26 |
0 |
|
|
445923 |
135269943 |
1 |
SN2C13H16 |
AB2C13D16 |
48.94 |
1.99 |
-8.57 |
-0.5 |
0 |
|
|
445924 |
135269945 |
1 |
O3N4C26H36 |
A3B4C26D36 |
-49.29 |
4.24 |
-8.68 |
-0.57 |
0 |
|
|
445925 |
135269946 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-35.08 |
2.46 |
-9.4 |
-0.67 |
0 |
|
|
445926 |
135269947 |
1 |
OS2N5C23H33 |
AB2C5D23E33 |
34.82 |
3.63 |
-8.31 |
-0.67 |
0 |
|
|
445927 |
135269948 |
1 |
O2N7C24H31 |
A2B7C24D31 |
91.27 |
8.72 |
-8.02 |
-0.72 |
0 |
|
|
445928 |
135269949 |
1 |
SO2N4C28H40 |
AB2C4D28E40 |
5.17 |
8.58 |
-8.27 |
-0.54 |
0 |
|
|
445929 |
135269950 |
1 |
O2S2N5C22H23 |
A2B2C5D22E23 |
71.69 |
2.31 |
-8.49 |
-1.6 |
0 |
|
|
445930 |
135269957 |
1 |
BrN2O2C11H17 |
AB2C2D11E17 |
-81.99 |
2.89 |
-8.61 |
-0.15 |
0 |
|
|
445931 |
135269958 |
1 |
FOSN5C24H24 |
ABCD5E24F24 |
52.96 |
3.48 |
-8.59 |
-1.15 |
0 |
|
|
445932 |
135269961 |
1 |
FO2N6C25H27 |
AB2C6D25E27 |
-7.97 |
2.94 |
-8.62 |
-1.28 |
0 |
|
|
445933 |
135269962 |
1 |
ClO3N6C29H31 |
AB3C6D29E31 |
-2.69 |
2.83 |
-8.86 |
-1.43 |
0 |
|
|
445934 |
135269963 |
1 |
ON4H16C26 |
AB4C16D26 |
266.26 |
6.23 |
-8.91 |
-1.25 |
0 |
|
|
445935 |
135269964 |
1 |
O3N6C29H32 |
A3B6C29D32 |
4.82 |
2.59 |
-8.77 |
-1.33 |
0 |
|
|
445936 |
135269965 |
1 |
FO2N5H22C24 |
AB2C5D22E24 |
21.0 |
5.98 |
-8.91 |
-1.18 |
0 |
|
|
445937 |
135269975 |
1 |
O3N5C25H35 |
A3B5C25D35 |
-39.53 |
4.54 |
-8.8 |
-0.98 |
0 |
|
|
445938 |
135269976 |
1 |
SF2O3N5C27H31 |
AB2C3D5E27F31 |
-73.78 |
6.7 |
-8.86 |
-1.25 |
0 |
|
|
445939 |
135269979 |
1 |
O2N6C17H18 |
A2B6C17D18 |
41.51 |
5.13 |
-9.17 |
-1.42 |
0 |
|
|
445940 |
135269981 |
1 |
FO3N6C28H29 |
AB3C6D28E29 |
-31.59 |
3.95 |
-8.97 |
-1.48 |
0 |
|
|
445941 |
135269982 |
1 |
O3N7C30H37 |
A3B7C30D37 |
-27.09 |
4.29 |
-8.49 |
-1.09 |
0 |
|
|
445942 |
135269983 |
1 |
O2N6H20C21 |
A2B6C20D21 |
41.57 |
6.64 |
-8.47 |
-0.93 |
0 |
|
|
445943 |
135269992 |
1 |
O2N6C23H24 |
A2B6C23D24 |
43.48 |
4.02 |
-8.68 |
-0.99 |
0 |
|
|
445944 |
135269993 |
1 |
SO2N5C25H27 |
AB2C5D25E27 |
44.68 |
2.63 |
-9.06 |
-1.34 |
0 |
|
|
445945 |
135269994 |
1 |
FON3H12C17 |
ABC3D12E17 |
10.69 |
5.28 |
-8.98 |
-1.4 |
0 |
|
|
445946 |
135269995 |
1 |
OSF2N6C26H28 |
ABC2D6E26F28 |
-16.59 |
4.57 |
-8.61 |
-1.33 |
0 |
|
|
445947 |
135269996 |
1 |
SO2N6C26H28 |
AB2C6D26E28 |
35.98 |
8.37 |
-8.86 |
-0.68 |
0 |
|
|
445948 |
135269998 |
1 |
SO2N6C21H22 |
AB2C6D21E22 |
78.37 |
11.61 |
-7.99 |
-0.85 |
0 |
|
|
445949 |
135270008 |
1 |
SO3N7C22H33 |
AB3C7D22E33 |
-18.63 |
6.31 |
-8.34 |
-0.66 |
0 |
|
|
445950 |
135270010 |
1 |
SO3N5C18H21 |
AB3C5D18E21 |
-17.02 |
3.95 |
-9.85 |
-1.67 |
0 |
|
|
445951 |
135270012 |
1 |
O2N4C9H14 |
A2B4C9D14 |
-17.68 |
4.25 |
-8.42 |
-0.4 |
0 |
|
|
445952 |
135270013 |
1 |
O3N5H21C23 |
A3B5C21D23 |
27.64 |
3.04 |
-9.23 |
-1.57 |
0 |
|
|
445953 |
135270014 |
1 |
ON5C22H23 |
AB5C22D23 |
78.33 |
4.34 |
-9.24 |
-1.11 |
0 |
|
|
445954 |
135270019 |
1 |
SO2N5C21H23 |
AB2C5D21E23 |
81.41 |
4.24 |
-8.12 |
-0.55 |
0 |
|
|
445955 |
135270020 |
1 |
NC12H19 |
AB12C19 |
29.19 |
2.39 |
-8.86 |
0.36 |
0 |
|
|
445956 |
135270021 |
1 |
SO2N5C21H21 |
AB2C5D21E21 |
73.15 |
4.12 |
-8.17 |
-0.79 |
0 |
|
|
445957 |
135270022 |
1 |
O3N6H24C26 |
A3B6C24D26 |
44.95 |
3.15 |
-8.95 |
-1.09 |
0 |
|
|
445958 |
135270023 |
1 |
O3N6C26H34 |
A3B6C26D34 |
-26.61 |
5.45 |
-8.23 |
-0.53 |
0 |
|
|
445959 |
135270026 |
1 |
OSN5C22H23 |
ABC5D22E23 |
80.78 |
3.77 |
-8.2 |
-0.68 |
0 |
|
|
445960 |
135270027 |
1 |
N5C22H25 |
A5B22C25 |
128.62 |
2.61 |
-7.54 |
-0.58 |
0 |
|
|
445961 |
135270035 |
1 |
SN5O5C16H17 |
AB5C5D16E17 |
-97.11 |
4.02 |
-9.46 |
-1.81 |
0 |
|
|
445962 |
135270065 |
1 |
N6C17H30 |
A6B17C30 |
44.05 |
5.2 |
-8.06 |
0.22 |
0 |
|
|
445963 |
135270071 |
1 |
SO2N5C24H31 |
AB2C5D24E31 |
28.71 |
6.95 |
-7.94 |
-0.44 |
0 |
|
|
445964 |
135270077 |
1 |
FOSN5C27H30 |
ABCD5E27F30 |
59.12 |
3.21 |
-8.5 |
-1.18 |
0 |
|
|
445965 |
135270095 |
1 |
ON5C22H23 |
AB5C22D23 |
39.97 |
5.67 |
-7.91 |
-0.85 |
0 |
|
|
445966 |
135270096 |
1 |
ClON5H18C20 |
ABC5D18E20 |
71.21 |
2.11 |
-8.7 |
-0.62 |
0 |
|
|
445967 |
135270097 |
1 |
N5C20H21 |
A5B20C21 |
101.91 |
2.86 |
-8.45 |
-0.5 |
0 |
|
|
445968 |
135270138 |
1 |
ON2C10H14 |
AB2C10D14 |
-30.21 |
4.93 |
-8.38 |
-0.02 |
0 |
|
|
445969 |
135270142 |
1 |
ON7H17C20 |
AB7C17D20 |
114.92 |
6.0 |
-8.62 |
-1.09 |
0 |
|
|
445970 |
135270143 |
1 |
FO2N7C24H24 |
AB2C7D24E24 |
35.65 |
4.58 |
-8.93 |
-1.45 |
0 |
|
|
445971 |
135270158 |
1 |
OSN7C19H23 |
ABC7D19E23 |
68.68 |
2.41 |
-8.55 |
-1.14 |
0 |
|
|
445972 |
135270245 |
1 |
FON7C26H26 |
ABC7D26E26 |
62.3 |
5.74 |
-8.82 |
-1.5 |
0 |
|
|
445973 |
135270250 |
1 |
ON2C33H58 |
AB2C33D58 |
-116.33 |
0.67 |
-8.14 |
1.48 |
0 |
|
|
445974 |
135270255 |
1 |
F2O2N6H22C23 |
A2B2C6D22E23 |
-48.5 |
6.62 |
-8.56 |
-0.89 |
0 |
|
|
445975 |
135270374 |
1 |
PC19H33 |
AB19C33 |
-6.99 |
1.1 |
-8.2 |
0.94 |
0 |
|
|
445976 |
135270768 |
1 |
FO2N5H24C27 |
AB2C5D24E27 |
32.88 |
10.86 |
-9.54 |
-1.12 |
0 |
|
|
445977 |
135270853 |
1 |
S2N3H19C21 |
A2B3C19D21 |
124.42 |
3.03 |
-8.43 |
-1.02 |
0 |
|
|
445978 |
135270880 |
1 |
FN3O4H16C17 |
AB3C4D16E17 |
-141.56 |
1.9 |
-9.41 |
-1.22 |
0 |
|
|
445979 |
135270975 |
2 |
OC6H11 |
AB6C11 |
-65.1 |
2.16 |
-9.72 |
2.0 |
0 |
|
|
445980 |
135270992 |
1 |
SCl2O4N5C24H29 |
AB2C4D5E24F29 |
-86.8 |
6.76 |
-7.99 |
-1.42 |
0 |
|
|
445981 |
135270999 |
1 |
N2C11H14 |
A2B11C14 |
45.93 |
2.72 |
-9.83 |
-0.42 |
0 |
|
|
445982 |
135271001 |
2 |
N2C5H9 |
A2B5C9 |
2.8 |
2.63 |
-8.48 |
0.43 |
0 |
|
|
445983 |
135271002 |
1 |
ON4C16H30 |
AB4C16D30 |
-74.24 |
1.3 |
-8.58 |
0.33 |
0 |
|
|
445984 |
135271104 |
1 |
NF2H35C52 |
AB2C35D52 |
106.5 |
4.71 |
-8.24 |
-0.61 |
0 |
|
|
445985 |
135271107 |
1 |
NOH43C68 |
ABC43D68 |
270.27 |
1.82 |
-8.3 |
-0.6 |
0 |
|
|
445986 |
135271111 |
1 |
NSH37C54 |
ABC37D54 |
209.49 |
2.19 |
-8.13 |
-0.62 |
0 |
|
|
445987 |
135271112 |
1 |
NOSH37C61 |
ABCD37E61 |
238.77 |
1.13 |
-8.26 |
-0.74 |
0 |
|
|
445988 |
135271128 |
1 |
NH41C55 |
AB41C55 |
201.52 |
2.14 |
-8.04 |
-0.41 |
0 |
|
|
445989 |
135271129 |
1 |
NH41C62 |
AB41C62 |
275.22 |
1.11 |
-8.11 |
-0.57 |
0 |
|
|
445990 |
135271130 |
1 |
NH43C65 |
AB43C65 |
268.04 |
1.54 |
-8.1 |
-0.57 |
0 |
|
|
445991 |
135271131 |
1 |
NOH39C58 |
ABC39D58 |
205.8 |
1.19 |
-8.0 |
-0.53 |
0 |
|
|
445992 |
135271132 |
1 |
NH39C56 |
AB39C56 |
222.45 |
1.75 |
-8.02 |
-0.49 |
0 |
|
|
445993 |
135271133 |
2 |
NH22C32 |
AB22C32 |
265.47 |
0.94 |
-7.87 |
-0.45 |
0 |
|
|
445994 |
135271134 |
1 |
NSH39C58 |
ABC39D58 |
233.81 |
3.05 |
-8.05 |
-0.52 |
0 |