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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
425743 |
135127713 |
1 |
F2N4H20C23 |
A2B4C20D23 |
-8.44 |
6.66 |
-8.87 |
-1.12 |
0 |
|
|
425744 |
135127721 |
1 |
ClFON3H23C24 |
ABCD3E23F24 |
-2.59 |
5.6 |
-8.77 |
-0.5 |
0 |
|
|
425745 |
135127774 |
1 |
ClN3H18C23 |
AB3C18D23 |
116.71 |
4.07 |
-9.22 |
-1.48 |
0 |
|
|
425746 |
135127782 |
1 |
F2O2N5C25H25 |
A2B2C5D25E25 |
-64.13 |
8.3 |
-8.56 |
-1.06 |
0 |
|
|
425747 |
135127784 |
1 |
FON4H21C26 |
ABC4D21E26 |
51.19 |
3.92 |
-8.8 |
-1.14 |
0 |
|
|
425748 |
135127785 |
1 |
ON3C28H31 |
AB3C28D31 |
84.99 |
7.76 |
-8.52 |
-0.45 |
0 |
|
|
425749 |
135127786 |
1 |
ON4H22C25 |
AB4C22D25 |
85.57 |
4.5 |
-8.68 |
-1.08 |
0 |
|
|
425750 |
135127787 |
1 |
ClF2O2N3H20C23 |
AB2C2D3E20F23 |
-86.49 |
1.87 |
-8.9 |
-0.82 |
0 |
|
|
425751 |
135127795 |
1 |
ClFN5C27H37 |
ABC5D27E37 |
7.88 |
7.04 |
-8.11 |
0.04 |
0 |
|
|
425752 |
135127796 |
1 |
ClFO2N5C27H47 |
ABC2D5E27F47 |
-146.23 |
6.41 |
-8.8 |
0.78 |
0 |
|
|
425753 |
135127797 |
1 |
ClON4H19C21 |
ABC4D19E21 |
79.78 |
3.45 |
-8.4 |
-0.96 |
0 |
|
|
425754 |
135127798 |
1 |
ClFON5C25H35 |
ABCD5E25F35 |
-46.3 |
9.63 |
-9.02 |
-0.16 |
0 |
|
|
425755 |
135127839 |
1 |
ClFN5C24H27 |
ABC5D24E27 |
31.78 |
7.92 |
-8.06 |
-0.48 |
0 |
|
|
425756 |
135127841 |
1 |
ClN5C24H24 |
AB5C24D24 |
136.8 |
6.69 |
-8.43 |
-0.39 |
0 |
|
|
425757 |
135127845 |
1 |
O3N4H18C22 |
A3B4C18D22 |
12.12 |
2.63 |
-8.79 |
-1.12 |
0 |
|
|
425758 |
135127846 |
1 |
ClO2N5H24C29 |
AB2C5D24E29 |
44.73 |
1.18 |
-8.44 |
-1.06 |
0 |
|
|
425759 |
135127876 |
1 |
ClFON4H12C20 |
ABCD4E12F20 |
37.78 |
2.49 |
-9.25 |
-1.68 |
0 |
|
|
425760 |
135127883 |
1 |
O2N5H29C32 |
A2B5C29D32 |
75.89 |
6.78 |
-8.73 |
-1.04 |
0 |
|
|
425761 |
135127884 |
1 |
O3N5C28H31 |
A3B5C28D31 |
4.92 |
4.5 |
-8.55 |
-1.16 |
0 |
|
|
425762 |
135127886 |
1 |
F4N4H16C25 |
A4B4C16D25 |
-46.45 |
1.91 |
-8.02 |
-1.14 |
0 |
|
|
425763 |
135127888 |
1 |
ON4H22C23 |
AB4C22D23 |
75.24 |
3.96 |
-8.23 |
-0.9 |
0 |
|
|
425764 |
135127890 |
1 |
ClON4H15C21 |
ABC4D15E21 |
167.15 |
6.95 |
-7.87 |
-1.38 |
0 |
|
|
425765 |
135127893 |
1 |
ClNOC13H16 |
ABCD13E16 |
-2.35 |
2.9 |
-8.94 |
-0.34 |
0 |
|
|
425766 |
135127899 |
1 |
OF3N5H18C25 |
AB3C5D18E25 |
-22.0 |
6.0 |
-8.88 |
-1.64 |
0 |
|
|
425767 |
135127900 |
1 |
O2N6C29H32 |
A2B6C29D32 |
13.29 |
5.9 |
-8.75 |
-1.3 |
0 |
|
|
425768 |
135127901 |
1 |
OCl2N5H15C23 |
AB2C5D15E23 |
92.95 |
1.67 |
-8.64 |
-1.6 |
0 |
|
|
425769 |
135127902 |
1 |
FO3N5C28H32 |
AB3C5D28E32 |
21.47 |
4.35 |
-9.18 |
-0.78 |
0 |
|
|
425770 |
135127904 |
1 |
ClN4H21C23 |
AB4C21D23 |
105.6 |
5.11 |
-8.86 |
-1.16 |
0 |
|
|
425771 |
135127905 |
1 |
OF3N4H17C21 |
AB3C4D17E21 |
-83.26 |
5.37 |
-8.66 |
-1.36 |
0 |
|
|
425772 |
135127906 |
1 |
SO2N5H15C23 |
AB2C5D15E23 |
79.86 |
3.34 |
-9.32 |
-1.77 |
0 |
|
|
425773 |
135127914 |
1 |
ClSO2N4C23H27 |
ABC2D4E23F27 |
9.79 |
1.75 |
-8.06 |
-1.08 |
0 |
|
|
425774 |
135127915 |
1 |
SO2N5H21C25 |
AB2C5D21E25 |
91.39 |
6.26 |
-9.05 |
-1.16 |
0 |
|
|
425775 |
135127917 |
1 |
ClFN3C24H25 |
ABC3D24E25 |
49.47 |
6.41 |
-8.62 |
-0.38 |
0 |
|
|
425776 |
135127925 |
1 |
FN4C21H21 |
AB4C21D21 |
70.97 |
6.22 |
-8.75 |
-1.12 |
0 |
|
|
425777 |
135127939 |
1 |
FN3C24H30 |
AB3C24D30 |
-6.63 |
1.36 |
-8.5 |
0.0 |
0 |
|
|
425778 |
135127942 |
1 |
ClO2N5H24C29 |
AB2C5D24E29 |
41.08 |
6.02 |
-8.86 |
-1.27 |
0 |
|
|
425779 |
135127950 |
1 |
NH27C32 |
AB27C32 |
288.35 |
4.75 |
-8.87 |
-0.58 |
0 |
|
|
425780 |
135127952 |
2 |
N2C10H11 |
A2B10C11 |
82.58 |
4.9 |
-8.6 |
-0.8 |
0 |
|
|
425781 |
135127960 |
1 |
OSF3N4H13C18 |
ABC3D4E13F18 |
-102.86 |
4.03 |
-9.05 |
-1.22 |
0 |
|
|
425782 |
135127961 |
1 |
ClON5H24C28 |
ABC5D24E28 |
104.86 |
0.84 |
-9.11 |
-1.28 |
0 |
|
|
425783 |
135127985 |
1 |
ClPN5H13C17 |
ABC5D13E17 |
114.08 |
4.22 |
-8.73 |
-1.06 |
0 |
|
|
425784 |
135127988 |
1 |
FON4C23H23 |
ABC4D23E23 |
19.1 |
3.7 |
-8.59 |
-0.83 |
0 |
|
|
425785 |
135127999 |
2 |
N2C11H12 |
A2B11C12 |
88.2 |
4.33 |
-8.47 |
-0.5 |
0 |
|
|
425786 |
135128000 |
1 |
SN4H18C22 |
AB4C18D22 |
127.57 |
4.85 |
-8.73 |
-0.84 |
0 |
|
|
425787 |
135128001 |
1 |
ClN4H19C21 |
AB4C19D21 |
95.24 |
0.7 |
-8.6 |
-0.6 |
0 |
|
|
425788 |
135128007 |
1 |
ON5H31C33 |
AB5C31D33 |
110.97 |
4.16 |
-8.0 |
-0.98 |
0 |
|
|
425789 |
135128008 |
1 |
F3N5H14C20 |
A3B5C14D20 |
-33.16 |
2.08 |
-8.98 |
-1.11 |
0 |
|
|
425790 |
135128035 |
1 |
NO2C16H19 |
AB2C16D19 |
10.36 |
3.97 |
-8.29 |
-0.18 |
0 |
|
|
425791 |
135128038 |
1 |
O2N4C23H24 |
A2B4C23D24 |
24.49 |
3.59 |
-8.37 |
-0.76 |
0 |
|
|
425792 |
135128041 |
1 |
ClO2N4H21C28 |
AB2C4D21E28 |
66.22 |
5.28 |
-9.05 |
-1.07 |
0 |
|
|
425793 |
135128044 |
1 |
INH22C23 |
ABC22D23 |
97.6 |
3.31 |
-8.59 |
-0.93 |
0 |
|
|
425794 |
135128047 |
1 |
N4H20C21 |
A4B20C21 |
107.04 |
2.8 |
-8.6 |
-0.84 |
0 |
|
|
425795 |
135128049 |
1 |
FN3C26H26 |
AB3C26D26 |
76.18 |
2.79 |
-8.73 |
-0.7 |
0 |
|
|
425796 |
135128050 |
1 |
ON2H22C23 |
AB2C22D23 |
62.84 |
1.6 |
-8.46 |
-0.61 |
0 |
|
|
425797 |
135128051 |
1 |
F3N3H20C21 |
A3B3C20D21 |
-52.71 |
1.97 |
-8.54 |
-0.67 |
0 |
|
|
425798 |
135128052 |
1 |
ION4H9C12 |
ABC4D9E12 |
65.83 |
8.6 |
-9.28 |
-1.29 |
0 |
|
|
425799 |
135128053 |
1 |
ON4C13H16 |
AB4C13D16 |
56.62 |
4.01 |
-9.14 |
-0.76 |
0 |
|
|
425800 |
135128067 |
1 |
NC12H15 |
AB12C15 |
23.08 |
1.35 |
-7.96 |
0.36 |
0 |
|
|
425801 |
135128071 |
2 |
ON2C11H11 |
AB2C11D11 |
29.21 |
5.78 |
-8.54 |
-0.85 |
0 |
|
|
425802 |
135128072 |
2 |
FN2H8C10 |
AB2C8D10 |
19.09 |
3.18 |
-8.82 |
-0.76 |
0 |
|
|
425803 |
135128074 |
1 |
BrN4C16H17 |
AB4C16D17 |
70.0 |
4.83 |
-8.01 |
-0.82 |
0 |
|
|
425804 |
135128075 |
2 |
ON2C11H11 |
AB2C11D11 |
42.42 |
7.1 |
-8.36 |
-0.91 |
0 |
|
|
425805 |
135128084 |
1 |
FN4C21H21 |
AB4C21D21 |
44.1 |
3.97 |
-8.58 |
-0.74 |
0 |
|
|
425806 |
135128085 |
1 |
NC26H33 |
AB26C33 |
119.09 |
2.2 |
-8.56 |
0.22 |
0 |
|
|
425807 |
135128086 |
1 |
FN5C26H26 |
AB5C26D26 |
67.72 |
2.92 |
-7.86 |
-0.33 |
0 |
|
|
425808 |
135128090 |
1 |
FOPN3C25H27 |
ABCD3E25F27 |
13.04 |
2.89 |
-8.68 |
-0.84 |
0 |
|
|
425809 |
135128094 |
1 |
ON2H18C20 |
AB2C18D20 |
52.28 |
3.35 |
-8.79 |
-0.46 |
0 |
|
|
425810 |
135128095 |
2 |
N2C13H14 |
A2B13C14 |
192.87 |
3.83 |
-8.54 |
-0.96 |
0 |
|
|
425811 |
135128097 |
1 |
OF2N5H23C24 |
AB2C5D23E24 |
-43.25 |
3.73 |
-8.95 |
-1.12 |
0 |
|
|
425812 |
135128105 |
1 |
N5C22H23 |
A5B22C23 |
98.85 |
5.47 |
-8.45 |
-0.79 |
0 |
|
|
425813 |
135128106 |
1 |
ON4C22H24 |
AB4C22D24 |
51.52 |
1.74 |
-8.39 |
-0.38 |
0 |
|
|
425814 |
135128109 |
1 |
O2N3C21H25 |
A2B3C21D25 |
58.82 |
4.05 |
-8.38 |
-0.27 |
0 |
|
|
425815 |
135128110 |
1 |
ON4C22H22 |
AB4C22D22 |
60.5 |
6.29 |
-8.41 |
-0.77 |
0 |
|
|
425816 |
135128138 |
1 |
ON2H20C23 |
AB2C20D23 |
124.2 |
2.27 |
-8.63 |
-0.22 |
0 |
|
|
425817 |
135128145 |
1 |
F2N4H22C23 |
A2B4C22D23 |
89.73 |
2.69 |
-8.09 |
-0.48 |
0 |
|
|
425818 |
135128146 |
1 |
O3H10C14 |
A3B10C14 |
24.92 |
3.41 |
-9.71 |
-0.97 |
0 |
|
|
425819 |
135128147 |
1 |
OS2N5C14H15 |
AB2C5D14E15 |
49.65 |
4.32 |
-8.61 |
-1.03 |
0 |
|
|
425820 |
135128164 |
1 |
O6S6N21C67H87 |
A6B6C21D67E87 |
-95.05 |
31.23 |
-7.8 |
-1.45 |
0 |
|
|
425821 |
135128165 |
1 |
OSN7C20H21 |
ABC7D20E21 |
79.5 |
1.53 |
-8.18 |
-0.86 |
0 |
|
|
425822 |
135128170 |
1 |
OSN8C19H20 |
ABC8D19E20 |
93.14 |
4.02 |
-8.38 |
-1.33 |
0 |
|
|
425823 |
135128185 |
1 |
OSN5C20H25 |
ABC5D20E25 |
-4.66 |
4.51 |
-8.45 |
-0.8 |
0 |
|
|
425824 |
135128187 |
1 |
O6S6N18C67H82 |
A6B6C18D67E82 |
-100.0 |
13.47 |
-8.34 |
-1.1 |
0 |
|
|
425825 |
135128188 |
1 |
N5H17C20 |
A5B17C20 |
111.54 |
6.37 |
-8.4 |
-0.9 |
0 |
|
|
425826 |
135128190 |
1 |
OS2N5C17H21 |
AB2C5D17E21 |
17.67 |
4.81 |
-8.55 |
-0.96 |
0 |
|
|
425827 |
135128195 |
1 |
S2O3N7C24H31 |
A2B3C7D24E31 |
-70.61 |
6.66 |
-8.63 |
-1.11 |
0 |
|
|
425828 |
135128198 |
4 |
OC5H6 |
AB5C6 |
-79.26 |
1.93 |
-9.66 |
-0.9 |
0 |
|
|
425829 |
135128208 |
1 |
FOC9H11 |
ABC9D11 |
-67.88 |
2.65 |
-9.13 |
-0.24 |
0 |
|
|
425830 |
135128209 |
1 |
OS2N7C22H31 |
AB2C7D22E31 |
18.34 |
8.92 |
-8.0 |
-1.06 |
0 |
|
|
425831 |
135128213 |
1 |
S2N6C17H22 |
A2B6C17D22 |
74.18 |
5.06 |
-8.48 |
-0.89 |
0 |
|
|
425832 |
135128223 |
2 |
OSN3C11H14 |
ABC3D11E14 |
-32.7 |
11.78 |
-8.45 |
-1.07 |
0 |
|
|
425833 |
135128225 |
1 |
S2O3N5C16H19 |
A2B3C5D16E19 |
-53.03 |
6.34 |
-8.72 |
-1.14 |
0 |
|
|
425834 |
135128229 |
1 |
OS2N5C15H17 |
AB2C5D15E17 |
34.35 |
5.82 |
-8.54 |
-0.95 |
0 |
|
|
425835 |
135128231 |
1 |
OS2N5C18H23 |
AB2C5D18E23 |
38.96 |
5.68 |
-8.49 |
-0.92 |
0 |
|
|
425836 |
135128233 |
1 |
SO4N5C18H21 |
AB4C5D18E21 |
-97.77 |
2.07 |
-8.59 |
-0.95 |
0 |
|
|
425837 |
135128239 |
2 |
O3S3N10C34H38 |
A3B3C10D34E38 |
3.73 |
17.53 |
-8.46 |
-1.21 |
0 |
|
|
425838 |
135128240 |
1 |
OSN7C20H21 |
ABC7D20E21 |
80.09 |
1.45 |
-8.26 |
-0.95 |
0 |
|
|
425839 |
135128241 |
1 |
SN7C20H21 |
AB7C20D21 |
125.06 |
3.61 |
-8.17 |
-0.86 |
0 |
|
|
425840 |
135128243 |
1 |
SO2N6C21H22 |
AB2C6D21E22 |
24.68 |
3.61 |
-8.12 |
-0.71 |
0 |
|
|
425841 |
135128261 |
1 |
NH41C50 |
AB41C50 |
167.76 |
1.88 |
-7.83 |
-0.55 |
0 |
|
|
425842 |
135128263 |
1 |
SO2N6C17H22 |
AB2C6D17E22 |
-9.01 |
1.14 |
-8.21 |
-0.7 |
0 |