List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
328108 |
126692090 |
1 |
ClFNO3H15C16 |
ABCD3E15F16 |
-132.86 |
3.72 |
-9.56 |
-1.43 |
0 |
|
|
328109 |
126692091 |
1 |
F2N3O5C31H31 |
A2B3C5D31E31 |
-229.78 |
7.65 |
-8.49 |
-0.46 |
0 |
|
|
328110 |
126692097 |
1 |
F2O2N5C19H21 |
A2B2C5D19E21 |
-61.44 |
6.85 |
-9.55 |
-1.53 |
0 |
|
|
328111 |
126692101 |
1 |
F2O2N5C20H23 |
A2B2C5D20E23 |
-95.08 |
5.78 |
-9.11 |
-1.41 |
0 |
|
|
328112 |
126692103 |
1 |
N4O5F6H32C35 |
A4B5C6D32E35 |
-395.59 |
4.42 |
-8.79 |
-1.44 |
0 |
|
|
328113 |
126692106 |
1 |
N4C7H10 |
A4B7C10 |
46.79 |
3.94 |
-9.07 |
-0.49 |
0 |
|
|
328114 |
126692117 |
1 |
F2N3O3H25C26 |
A2B3C3D25E26 |
-124.88 |
5.12 |
-8.91 |
-0.54 |
0 |
|
|
328115 |
126692120 |
1 |
N4O5F6C34H36 |
A4B5C6D34E36 |
-455.6 |
12.03 |
-8.71 |
-1.08 |
0 |
|
|
328116 |
126692124 |
1 |
O3N5C30H45 |
A3B5C30D45 |
-24.67 |
7.69 |
-9.04 |
-0.16 |
0 |
|
|
328117 |
126692126 |
1 |
N3O4C35H41 |
A3B4C35D41 |
-103.1 |
4.26 |
-8.48 |
-0.25 |
0 |
|
|
328118 |
126692128 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-91.5 |
4.42 |
-8.85 |
-0.39 |
0 |
|
|
328119 |
126692130 |
1 |
N3O5F6H31C33 |
A3B5C6D31E33 |
-440.47 |
6.88 |
-8.45 |
-0.97 |
0 |
|
|
328120 |
126692134 |
1 |
F3O3N5H20C25 |
A3B3C5D20E25 |
-108.31 |
3.68 |
-9.07 |
-1.27 |
0 |
|
|
328121 |
126692135 |
1 |
N3C28H37 |
A3B28C37 |
52.41 |
2.01 |
-8.17 |
0.08 |
0 |
|
|
328122 |
126692142 |
2 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-489.02 |
7.47 |
-8.64 |
-0.89 |
0 |
|
|
328123 |
126692147 |
1 |
ON4C15H20 |
AB4C15D20 |
43.98 |
3.82 |
-8.42 |
-0.96 |
0 |
|
|
328124 |
126692151 |
1 |
N4O5F6H32C33 |
A4B5C6D32E33 |
-424.55 |
6.69 |
-8.78 |
-1.39 |
0 |
|
|
328125 |
126692152 |
1 |
N5O5F12H23C34 |
A5B5C12D23E34 |
-696.05 |
9.96 |
-9.5 |
-1.55 |
0 |
|
|
328126 |
126692170 |
1 |
PN3O4F5C34H37 |
AB3C4D5E34F37 |
-342.29 |
4.17 |
-8.61 |
-1.06 |
0 |
|
|
328127 |
126692173 |
1 |
O4N5F6C33H33 |
A4B5C6D33E33 |
-386.48 |
6.64 |
-8.85 |
-1.3 |
0 |
|
|
328128 |
126692177 |
2 |
N3C12H13 |
A3B12C13 |
102.53 |
4.04 |
-8.24 |
-1.1 |
0 |
|
|
328129 |
126692178 |
1 |
N3F6C33H37 |
A3B6C33D37 |
-225.86 |
4.26 |
-8.06 |
-1.23 |
0 |
|
|
328130 |
126692179 |
1 |
BrN3O5F6H30C32 |
AB3C5D6E30F32 |
-466.24 |
13.11 |
-8.95 |
-1.39 |
0 |
|
|
328131 |
126692180 |
1 |
BrN3O5F6C33H34 |
AB3C5D6E33F34 |
-450.38 |
6.45 |
-8.88 |
-1.06 |
0 |
|
|
328132 |
126692187 |
1 |
N3F5O6H28C30 |
A3B5C6D28E30 |
-431.74 |
3.05 |
-9.12 |
-0.74 |
0 |
|
|
328133 |
126692190 |
1 |
N3O5F6H29C32 |
A3B5C6D29E32 |
-446.76 |
7.97 |
-8.76 |
-1.33 |
0 |
|
|
328134 |
126692196 |
1 |
F2N3O5C32H35 |
A2B3C5D32E35 |
-237.75 |
6.0 |
-8.37 |
-0.47 |
0 |
|
|
328135 |
126692199 |
2 |
N2F3O3H16C18 |
A2B3C3D16E18 |
-451.95 |
11.22 |
-9.03 |
-1.43 |
0 |
|
|
328136 |
126692200 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-34.1 |
3.02 |
-8.9 |
-0.49 |
0 |
|
|
328137 |
126692201 |
1 |
N3O4H19C25 |
A3B4C19D25 |
-80.28 |
10.19 |
-8.16 |
-1.26 |
0 |
|
|
328138 |
126692203 |
1 |
O2N4C21H26 |
A2B4C21D26 |
29.28 |
8.79 |
-8.45 |
-1.39 |
0 |
|
|
328139 |
126692215 |
1 |
ClO4N5F9H23C33 |
AB4C5D9E23F33 |
-484.13 |
4.77 |
-9.67 |
-1.69 |
0 |
|
|
328140 |
126692216 |
3 |
NOF2C11H11 |
ABC2D11E11 |
-373.69 |
8.91 |
-8.6 |
-1.2 |
0 |
|
|
328141 |
126692230 |
1 |
N4F6O6C37H38 |
A4B6C6D37E38 |
-470.9 |
11.95 |
-8.95 |
-0.81 |
0 |
|
|
328142 |
126692238 |
1 |
N3O5F6C34H35 |
A3B5C6D34E35 |
-435.57 |
12.71 |
-9.13 |
-1.5 |
0 |
|
|
328143 |
126692239 |
1 |
N4F6O6H24C31 |
A4B6C6D24E31 |
-401.58 |
6.67 |
-8.8 |
-2.0 |
0 |
|
|
328144 |
126692248 |
1 |
N5O5F6H31C34 |
A5B5C6D31E34 |
-387.44 |
8.62 |
-8.38 |
-1.87 |
0 |
|
|
328145 |
126692252 |
1 |
ON5C10H13 |
AB5C10D13 |
76.59 |
7.26 |
-8.76 |
-1.42 |
0 |
|
|
328146 |
126692260 |
1 |
ClFN4H22C23 |
ABC4D22E23 |
63.17 |
8.84 |
-8.38 |
-0.88 |
0 |
|
|
328147 |
126692267 |
2 |
N2O2F4H14C17 |
A2B2C4D14E17 |
-472.58 |
12.23 |
-9.6 |
-1.22 |
0 |
|
|
328148 |
126692270 |
1 |
N4O5F8H28C31 |
A4B5C8D28E31 |
-543.15 |
8.17 |
-9.22 |
-1.3 |
0 |
|
|
328149 |
126692277 |
1 |
F3N3O5H28C30 |
A3B3C5D28E30 |
-254.72 |
7.57 |
-8.51 |
-0.73 |
0 |
|
|
328150 |
126692278 |
1 |
O2N4C21H22 |
A2B4C21D22 |
20.67 |
2.19 |
-8.54 |
-0.51 |
0 |
|
|
328151 |
126692292 |
2 |
N2C13H17 |
A2B13C17 |
83.54 |
2.62 |
-7.94 |
0.0 |
0 |
|
|
328152 |
126692293 |
1 |
SO2N5C18H21 |
AB2C5D18E21 |
25.44 |
8.1 |
-9.06 |
-1.41 |
0 |
|
|
328153 |
126692298 |
2 |
NC4H7 |
AB4C7 |
32.47 |
0.87 |
-8.46 |
0.87 |
0 |
|
|
328154 |
126692299 |
1 |
N4O5F8H28C32 |
A4B5C8D28E32 |
-548.84 |
9.71 |
-9.28 |
-1.48 |
0 |
|
|
328155 |
126692304 |
1 |
N3F5O5H28C30 |
A3B5C5D28E30 |
-390.02 |
4.0 |
-9.1 |
-0.78 |
0 |
|
|
328156 |
126692305 |
1 |
N3F5O6C31H32 |
A3B5C6D31E32 |
-450.41 |
5.07 |
-8.86 |
-0.56 |
0 |
|
|
328157 |
126692306 |
1 |
N2O4C21H32 |
A2B4C21D32 |
-210.56 |
3.99 |
-9.29 |
0.19 |
0 |
|
|
328158 |
126692307 |
1 |
ClN2O4H23C26 |
AB2C4D23E26 |
-99.93 |
3.06 |
-9.52 |
-1.01 |
0 |
|
|
328159 |
126692309 |
1 |
BrN2F3C11H14 |
AB2C3D11E14 |
-109.93 |
6.73 |
-9.08 |
-0.35 |
0 |
|
|
328160 |
126692713 |
1 |
N9O9C65H85 |
A9B9C65D85 |
-362.72 |
9.22 |
-8.39 |
0.15 |
0 |
|
|
328161 |
126692715 |
1 |
O7N9C68H87 |
A7B9C68D87 |
-260.23 |
5.39 |
-9.17 |
-0.32 |
0 |
|
|
328162 |
126692725 |
2 |
N2O2C15H21 |
A2B2C15D21 |
-129.49 |
6.56 |
-9.07 |
-0.52 |
0 |
|
|
328163 |
126692728 |
1 |
NOC9H17 |
ABC9D17 |
-46.12 |
2.14 |
-8.96 |
0.93 |
0 |
|
|
328164 |
126692787 |
1 |
FSO4C20H23 |
ABC4D20E23 |
-162.67 |
6.49 |
-9.11 |
-0.46 |
0 |
|
|
328165 |
126692839 |
1 |
OSF3N6C25H27 |
ABC3D6E25F27 |
-98.46 |
6.9 |
-8.07 |
-1.19 |
0 |
|
|
328166 |
126692851 |
1 |
SF3N6C24H27 |
AB3C6D24E27 |
-72.64 |
6.99 |
-8.39 |
-0.6 |
0 |
|
|
328167 |
126692852 |
1 |
ClSO2C9H9 |
ABC2D9E9 |
-36.39 |
6.89 |
-9.69 |
-0.98 |
0 |
|
|
328168 |
126692892 |
1 |
SF4N6C24H26 |
AB4C6D24E26 |
-88.9 |
10.22 |
-8.18 |
-0.89 |
0 |
|
|
328169 |
126692899 |
1 |
F4N5C21H23 |
A4B5C21D23 |
-113.7 |
6.06 |
-9.0 |
-0.98 |
0 |
|
|
328171 |
126692916 |
2 |
N2F3H5C7 |
A2B3C5D7 |
-215.94 |
4.19 |
-9.04 |
-1.42 |
0 |
|
|
328172 |
126692918 |
1 |
F3S3O4N5C29H30 |
A3B3C4D5E29F30 |
-210.59 |
5.09 |
-8.9 |
-1.11 |
0 |
|
|
328174 |
126693002 |
4 |
OH10C11 |
AB10C11 |
-16.97 |
6.03 |
-8.6 |
-0.74 |
0 |
|
|
328175 |
126693020 |
1 |
PN5O8C27H38 |
AB5C8D27E38 |
-340.31 |
4.48 |
-8.89 |
-0.56 |
0 |
|
|
328176 |
126693078 |
1 |
ON5C11H19 |
AB5C11D19 |
16.64 |
6.1 |
-8.88 |
0.21 |
0 |
|
|
328177 |
126693090 |
1 |
ClSO2N5C23H26 |
ABC2D5E23F26 |
-17.6 |
7.25 |
-9.52 |
-1.34 |
0 |
|
|
328178 |
126693120 |
1 |
PN6O8C28H39 |
AB6C8D28E39 |
-314.46 |
6.39 |
-9.01 |
-0.67 |
0 |
|
|
328179 |
126693123 |
1 |
NOC15H29 |
ABC15D29 |
-60.99 |
2.01 |
-8.7 |
0.7 |
0 |
|
|
328180 |
126693145 |
1 |
PN6O6C27H35 |
AB6C6D27E35 |
-221.4 |
6.43 |
-9.13 |
-0.79 |
0 |
|
|
328181 |
126693644 |
1 |
N4O4C19H30 |
A4B4C19D30 |
-168.31 |
4.16 |
-9.2 |
0.11 |
0 |
|
|
328182 |
126693733 |
1 |
N2C11H12 |
A2B11C12 |
35.67 |
3.34 |
-9.48 |
-0.78 |
0 |
|
|
328183 |
126694492 |
1 |
ON3C9H11 |
AB3C9D11 |
49.23 |
5.88 |
-8.95 |
-0.84 |
0 |
|
|
328184 |
126694668 |
1 |
N2O2C33H46 |
A2B2C33D46 |
-18.25 |
3.63 |
-8.31 |
0.32 |
0 |