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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
438132 |
135227755 |
1 |
BrOF2N2H7C14 |
ABC2D2E7F14 |
-27.25 |
2.57 |
-9.84 |
-1.76 |
0 |
|
|
438133 |
135227756 |
1 |
BrN3H22C35 |
AB3C22D35 |
188.43 |
2.03 |
-8.9 |
-1.34 |
0 |
|
|
438134 |
135227757 |
1 |
BrON4H11C22 |
ABC4D11E22 |
155.22 |
5.96 |
-9.75 |
-1.65 |
0 |
|
|
438135 |
135227758 |
1 |
F2N3C7H9 |
A2B3C7D9 |
-51.56 |
3.23 |
-11.34 |
-1.36 |
0 |
|
|
438136 |
135227760 |
3 |
N2H12C19 |
A2B12C19 |
312.86 |
2.34 |
-7.89 |
-1.21 |
0 |
|
|
438137 |
135227762 |
1 |
SN2O2C32H42 |
AB2C2D32E42 |
-28.77 |
5.06 |
-8.8 |
-0.83 |
0 |
|
|
438138 |
135227763 |
1 |
N3H49C52 |
A3B49C52 |
140.12 |
2.66 |
-7.71 |
-0.48 |
0 |
|
|
438139 |
135227764 |
1 |
NC25H35 |
AB25C35 |
-4.97 |
1.42 |
-7.7 |
0.25 |
0 |
|
|
438140 |
135227767 |
1 |
NSO6C19H29 |
ABC6D19E29 |
-247.22 |
6.56 |
-9.33 |
-0.38 |
0 |
|
|
438141 |
135227768 |
1 |
NC9H21 |
AB9C21 |
-40.39 |
1.41 |
-8.74 |
3.06 |
0 |
|
|
438142 |
135227769 |
1 |
ClNH14C15 |
ABC14D15 |
53.21 |
2.57 |
-8.62 |
-0.87 |
0 |
|
|
438143 |
135227770 |
2 |
OSC8H11 |
ABC8D11 |
-46.87 |
4.0 |
-8.39 |
-0.16 |
0 |
|
|
438144 |
135227771 |
2 |
NSC5H6 |
ABC5D6 |
57.92 |
1.21 |
-8.2 |
-1.42 |
0 |
|
|
438145 |
135227773 |
1 |
S2N4O15C29H34 |
A2B4C15D29E34 |
-611.68 |
11.99 |
-10.17 |
-0.86 |
0 |
|
|
438146 |
135227774 |
1 |
S2N4O12C29H34 |
A2B4C12D29E34 |
-470.87 |
11.62 |
-8.71 |
-1.06 |
0 |
|
|
438147 |
135227775 |
1 |
NSO5C18H29 |
ABC5D18E29 |
-203.0 |
5.61 |
-9.45 |
-0.5 |
0 |
|
|
438148 |
135227776 |
1 |
NC18H33 |
AB18C33 |
-27.27 |
1.38 |
-8.24 |
1.08 |
0 |
|
|
438149 |
135227777 |
1 |
N5H23C25 |
A5B23C25 |
146.03 |
5.73 |
-9.0 |
-0.53 |
0 |
|
|
438150 |
135227778 |
1 |
BrN3O3C20H26 |
AB3C3D20E26 |
-9.13 |
6.42 |
-9.17 |
-0.8 |
0 |
|
|
438151 |
135227779 |
1 |
N3C11H19 |
A3B11C19 |
36.86 |
1.2 |
-8.21 |
0.06 |
0 |
|
|
438152 |
135227780 |
1 |
ON6C24H24 |
AB6C24D24 |
109.86 |
9.67 |
-9.53 |
-1.31 |
0 |
|
|
438153 |
135227781 |
2 |
ON3C12H13 |
AB3C12D13 |
31.42 |
9.64 |
-9.36 |
-1.16 |
0 |
|
|
438154 |
135227782 |
1 |
N2O15C31H58 |
A2B15C31D58 |
-742.26 |
9.14 |
-9.85 |
0.24 |
0 |
|
|
438155 |
135227783 |
1 |
NO2C9H13 |
AB2C9D13 |
-69.34 |
4.26 |
-8.19 |
-0.05 |
0 |
|
|
438156 |
135227784 |
1 |
BrN4H13C19 |
AB4C13D19 |
133.16 |
3.2 |
-8.9 |
-0.99 |
0 |
|
|
438157 |
135227785 |
4 |
OC5H6 |
AB5C6 |
-158.15 |
4.36 |
-8.56 |
-0.5 |
0 |
|
|
438158 |
135227786 |
1 |
INO2C7H8 |
ABC2D7E8 |
-39.44 |
2.36 |
-8.64 |
-1.15 |
0 |
|
|
438159 |
135227787 |
1 |
NO2C12H15 |
AB2C12D15 |
-28.65 |
2.02 |
-9.61 |
-0.07 |
0 |
|
|
438160 |
135227788 |
2 |
N3C11H11 |
A3B11C11 |
130.63 |
6.01 |
-8.41 |
-0.35 |
0 |
|
|
438161 |
135227789 |
1 |
BrION2H18C19 |
ABCD2E18F19 |
42.8 |
5.22 |
-9.21 |
-1.14 |
0 |
|
|
438162 |
135227790 |
1 |
BrN3O3C27H28 |
AB3C3D27E28 |
-35.75 |
5.72 |
-8.51 |
-0.63 |
0 |
|
|
438163 |
135227791 |
1 |
N3O3C27H29 |
A3B3C27D29 |
-38.36 |
4.94 |
-8.41 |
-0.37 |
0 |
|
|
438164 |
135227792 |
1 |
O2N5C27H29 |
A2B5C27D29 |
61.57 |
7.82 |
-8.77 |
-0.48 |
0 |
|
|
438165 |
135227793 |
1 |
N6C11H14 |
A6B11C14 |
93.32 |
6.4 |
-8.71 |
-0.7 |
0 |
|
|
438166 |
135227794 |
1 |
NOSCl2C17H17 |
ABCD2E17F17 |
2.38 |
3.56 |
-8.37 |
-0.79 |
0 |
|
|
438167 |
135227795 |
1 |
BrON3C19H20 |
ABC3D19E20 |
17.86 |
6.37 |
-9.25 |
-0.75 |
0 |
|
|
438168 |
135227797 |
1 |
O2N4C21H26 |
A2B4C21D26 |
66.76 |
4.59 |
-8.84 |
-0.88 |
0 |
|
|
438169 |
135227798 |
1 |
NSCl2C17H19 |
ABC2D17E19 |
13.74 |
2.07 |
-8.75 |
-0.38 |
0 |
|
|
438170 |
135227799 |
1 |
FNC17H22 |
ABC17D22 |
-0.76 |
2.52 |
-9.26 |
-0.11 |
0 |
|
|
438171 |
135227800 |
1 |
NOSCl2C17H19 |
ABCD2E17F19 |
-11.19 |
5.47 |
-8.34 |
-0.42 |
0 |
|
|
438172 |
135227801 |
1 |
NOC10H19 |
ABC10D19 |
-44.76 |
2.4 |
-7.92 |
0.77 |
0 |
|
|
438173 |
135227802 |
1 |
BrN4H13C18 |
AB4C13D18 |
126.83 |
3.98 |
-9.2 |
-0.76 |
0 |
|
|
438174 |
135227803 |
1 |
ON4C17H26 |
AB4C17D26 |
-3.81 |
8.71 |
-8.33 |
0.04 |
0 |
|
|
438175 |
135227804 |
1 |
N3H19C30 |
A3B19C30 |
141.98 |
0.84 |
-7.87 |
-0.44 |
0 |
|
|
438176 |
135227805 |
1 |
O2N5H21C25 |
A2B5C21D25 |
67.81 |
4.0 |
-8.45 |
-0.69 |
0 |
|
|
438177 |
135227806 |
1 |
ON6H40C63 |
AB6C40D63 |
304.2 |
1.38 |
-7.58 |
-1.18 |
0 |
|
|
438178 |
135227807 |
2 |
FN2H7C10 |
AB2C7D10 |
31.48 |
1.98 |
-8.95 |
-0.83 |
0 |
|
|
438179 |
135227808 |
1 |
NF3H10C11 |
AB3C10D11 |
-94.0 |
3.26 |
-8.33 |
-0.44 |
0 |
|
|
438180 |
135227809 |
1 |
N2F3H7C11 |
A2B3C7D11 |
-74.98 |
2.73 |
-8.93 |
-0.75 |
0 |
|
|
438181 |
135227810 |
9 |
NH5C8 |
AB5C8 |
420.7 |
1.9 |
-7.87 |
-1.29 |
0 |
|
|
438182 |
135227811 |
3 |
N4H18C29 |
A4B18C29 |
525.91 |
1.45 |
-8.05 |
-1.26 |
0 |
|
|
438183 |
135227812 |
1 |
N9H45C70 |
A9B45C70 |
426.95 |
10.91 |
-8.04 |
-0.91 |
0 |
|
|
438184 |
135227813 |
1 |
FON4H21C25 |
ABC4D21E25 |
62.78 |
6.38 |
-8.57 |
-0.94 |
0 |
|
|
438185 |
135227814 |
1 |
O2N7H35C58 |
A2B7C35D58 |
286.95 |
6.15 |
-8.13 |
-1.31 |
0 |
|
|
438186 |
135227815 |
6 |
N2H9C14 |
A2B9C14 |
526.11 |
11.07 |
-8.18 |
-1.03 |
0 |
|
|
438187 |
135227816 |
1 |
FNC7H16 |
ABC7D16 |
-76.94 |
3.11 |
-9.45 |
3.28 |
0 |
|
|
438188 |
135227856 |
1 |
NOC9H15 |
ABC9D15 |
-10.45 |
3.39 |
-9.18 |
0.27 |
0 |
|
|
438189 |
135227879 |
1 |
FN6H21C24 |
AB6C21D24 |
108.48 |
7.47 |
-9.1 |
-1.03 |
0 |
|
|
438190 |
135227880 |
1 |
ON6C22H24 |
AB6C22D24 |
81.11 |
6.46 |
-9.08 |
-0.76 |
0 |
|
|
438191 |
135227881 |
3 |
NC2H5 |
AB2C5 |
23.75 |
1.53 |
-8.84 |
0.85 |
0 |
|
|
438192 |
135227882 |
1 |
FO2N6C23H25 |
AB2C6D23E25 |
55.15 |
9.33 |
-8.37 |
-0.85 |
0 |
|
|
438193 |
135227885 |
1 |
FN6H19C24 |
AB6C19D24 |
126.0 |
6.28 |
-8.84 |
-1.12 |
0 |
|
|
438194 |
135227886 |
1 |
N6C23H26 |
A6B23C26 |
142.99 |
4.31 |
-8.28 |
-0.45 |
0 |
|
|
438195 |
135227887 |
1 |
ON6C23H26 |
AB6C23D26 |
76.22 |
8.41 |
-9.06 |
-0.86 |
0 |
|
|
438196 |
135227888 |
1 |
BrN2H15C17 |
AB2C15D17 |
93.67 |
4.53 |
-9.12 |
-0.46 |
0 |
|
|
438197 |
135227889 |
1 |
BrON2C17H19 |
ABC2D17E19 |
4.87 |
2.89 |
-8.96 |
-0.29 |
0 |
|
|
438198 |
135227891 |
1 |
N2C5H12 |
A2B5C12 |
-0.61 |
0.84 |
-8.28 |
1.33 |
0 |
|
|
438199 |
135227892 |
1 |
N2C15H20 |
A2B15C20 |
47.0 |
2.62 |
-8.34 |
-0.18 |
0 |
|
|
438200 |
135227893 |
4 |
NC3H3 |
AB3C3 |
99.33 |
4.18 |
-9.27 |
-0.87 |
0 |
|
|
438201 |
135227894 |
2 |
N3C13H16 |
A3B13C16 |
129.58 |
7.19 |
-8.46 |
-0.45 |
0 |
|
|
438202 |
135227895 |
1 |
ON2C11H14 |
AB2C11D14 |
-31.38 |
6.23 |
-8.43 |
-0.03 |
0 |
|
|
438203 |
135227896 |
1 |
BrN2C17H19 |
AB2C17D19 |
56.17 |
2.39 |
-8.34 |
-0.03 |
0 |
|
|
438204 |
135227897 |
1 |
N4H22C25 |
A4B22C25 |
143.41 |
5.78 |
-8.57 |
-0.36 |
0 |
|
|
438205 |
135227898 |
1 |
FON2H9C12 |
ABC2D9E12 |
26.72 |
7.62 |
-8.38 |
-1.04 |
0 |
|
|
438206 |
135227899 |
1 |
FN6H19C23 |
AB6C19D23 |
114.49 |
4.69 |
-9.29 |
-0.83 |
0 |
|
|
438207 |
135227900 |
1 |
N7H21C22 |
A7B21C22 |
166.4 |
4.94 |
-8.79 |
-0.68 |
0 |
|
|
438208 |
135227902 |
1 |
FN7C24H26 |
AB7C24D26 |
88.28 |
3.95 |
-8.15 |
-0.23 |
0 |
|
|
438209 |
135227903 |
1 |
N5H17C18 |
A5B17C18 |
125.45 |
5.95 |
-9.12 |
-0.69 |
0 |
|
|
438210 |
135227904 |
2 |
N2C11H13 |
A2B11C13 |
102.71 |
4.61 |
-8.4 |
-0.27 |
0 |
|
|
438211 |
135227905 |
1 |
NOC7H15 |
ABC7D15 |
-57.47 |
1.54 |
-9.32 |
0.86 |
0 |
|
|
438212 |
135227906 |
1 |
FO2N6H21C23 |
AB2C6D21E23 |
78.17 |
4.34 |
-9.23 |
-1.22 |
0 |
|
|
438213 |
135227907 |
1 |
ON6C29H34 |
AB6C29D34 |
65.55 |
6.48 |
-8.39 |
-0.35 |
0 |
|
|
438214 |
135227908 |
1 |
ON5H19C23 |
AB5C19D23 |
130.7 |
6.66 |
-8.56 |
-0.71 |
0 |
|
|
438215 |
135227909 |
2 |
ON2C15H17 |
AB2C15D17 |
-3.35 |
5.67 |
-8.31 |
-0.6 |
0 |
|
|
438216 |
135227910 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-10.1 |
2.56 |
-8.58 |
-0.55 |
0 |
|
|
438217 |
135227911 |
1 |
FN6H19C23 |
AB6C19D23 |
119.07 |
6.12 |
-8.97 |
-1.04 |
0 |
|
|
438218 |
135227912 |
1 |
ON5H21C24 |
AB5C21D24 |
120.04 |
6.9 |
-8.41 |
-0.64 |
0 |
|
|
438219 |
135227913 |
1 |
Cl2N5H21C25 |
A2B5C21D25 |
122.46 |
7.14 |
-9.07 |
-0.86 |
0 |
|
|
438220 |
135227914 |
1 |
F2N7H19C21 |
A2B7C19D21 |
58.51 |
8.03 |
-8.43 |
-0.64 |
0 |
|
|
438221 |
135227915 |
1 |
N4C17H24 |
A4B17C24 |
51.09 |
6.88 |
-8.79 |
-0.16 |
0 |
|
|
438222 |
135227916 |
1 |
F2N7C21H21 |
A2B7C21D21 |
44.27 |
2.48 |
-8.26 |
-0.7 |
0 |
|
|
438223 |
135227917 |
1 |
N2C11H22 |
A2B11C22 |
-0.31 |
0.62 |
-9.31 |
0.4 |
0 |
|
|
438224 |
135227918 |
1 |
OCl2N5H25C26 |
AB2C5D25E26 |
64.18 |
9.27 |
-8.57 |
-0.39 |
0 |
|
|
438225 |
135227919 |
1 |
FO2N5C29H36 |
AB2C5D29E36 |
56.02 |
3.97 |
-9.08 |
-1.31 |
0 |
|
|
438226 |
135227920 |
1 |
FN6H21C22 |
AB6C21D22 |
95.9 |
4.8 |
-8.52 |
-0.62 |
0 |
|
|
438227 |
135227921 |
1 |
FN5C29H34 |
AB5C29D34 |
65.37 |
3.59 |
-7.83 |
-0.58 |
0 |
|
|
438228 |
135227922 |
1 |
SN2O16H46C49 |
AB2C16D46E49 |
-478.53 |
6.73 |
-8.96 |
-1.91 |
0 |
|
|
438229 |
135227923 |
1 |
FN7H18C22 |
AB7C18D22 |
131.02 |
10.02 |
-8.92 |
-0.91 |
0 |
|
|
438230 |
135227924 |
1 |
FN4C14H17 |
AB4C14D17 |
27.73 |
6.39 |
-9.06 |
-0.7 |
0 |
|
|
438231 |
135227925 |
1 |
N6H24C25 |
A6B24C25 |
143.88 |
9.34 |
-8.68 |
-0.71 |
0 |