List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
138113 |
52315545 |
2 |
NO2C12H16 |
AB2C12D16 |
-153.82 |
2.65 |
-9.27 |
-0.1 |
1 |
|
|
138114 |
52315771 |
1 |
FN3C19H21 |
AB3C19D21 |
35.0 |
8.17 |
0.0 |
0.0 |
1 |
|
|
138115 |
52315791 |
1 |
N3C14H20 |
A3B14C20 |
60.57 |
2.84 |
0.0 |
0.0 |
1 |
|
|
138116 |
52315813 |
1 |
ON3C12H22 |
AB3C12D22 |
4.1 |
3.94 |
0.0 |
0.0 |
-1 |
|
|
138117 |
52315878 |
1 |
O3N4H17C19 |
A3B4C17D19 |
57.77 |
23.4 |
0.0 |
0.0 |
0 |
|
|
138118 |
52316408 |
5 |
OC5H6 |
AB5C6 |
-203.47 |
1.29 |
-8.58 |
0.06 |
0 |
|
|
138119 |
52316409 |
5 |
OC5H6 |
AB5C6 |
-205.5 |
2.47 |
-8.64 |
0.01 |
0 |
|
|
138120 |
52316410 |
5 |
OC5H6 |
AB5C6 |
-203.67 |
1.61 |
-8.57 |
0.07 |
0 |
|
|
138121 |
52316411 |
1 |
O5C11H14 |
A5B11C14 |
-187.9 |
6.21 |
-9.87 |
-0.79 |
0 |
|
|
138122 |
52316412 |
1 |
O5C11H14 |
A5B11C14 |
-188.2 |
4.74 |
-9.94 |
-0.82 |
0 |
|
|
138123 |
52316413 |
1 |
N2O9C18H26 |
A2B9C18D26 |
-397.88 |
12.42 |
-9.4 |
-1.19 |
0 |
|
|
138124 |
52316449 |
1 |
O6C13H22 |
A6B13C22 |
-284.61 |
2.8 |
-10.06 |
0.0 |
0 |
|
|
138125 |
52316450 |
4 |
OC3H5 |
AB3C5 |
-191.88 |
4.01 |
-10.31 |
-0.78 |
0 |
|
|
138126 |
52316451 |
4 |
OC3H5 |
AB3C5 |
-192.82 |
2.18 |
-10.27 |
-0.77 |
0 |
|
|
138127 |
52316452 |
4 |
OC3H5 |
AB3C5 |
-188.52 |
2.69 |
-10.22 |
-0.62 |
0 |
|
|
138128 |
52316513 |
1 |
FNO4C19H20 |
ABC4D19E20 |
-169.08 |
7.56 |
-8.37 |
-0.3 |
0 |
|
|
138129 |
52316514 |
1 |
FN2O4H13C15 |
AB2C4D13E15 |
-87.67 |
4.79 |
-8.71 |
-1.61 |
0 |
|
|
138130 |
52316653 |
1 |
FN3O4C20H26 |
AB3C4D20E26 |
-169.33 |
5.15 |
-9.3 |
-0.16 |
0 |
|
|
138131 |
52316844 |
1 |
N2F3O4H19C20 |
A2B3C4D19E20 |
-252.19 |
7.24 |
-8.71 |
-1.24 |
1 |
|
|
138132 |
52317036 |
1 |
O2N7C11H16 |
A2B7C11D16 |
88.6 |
13.13 |
0.0 |
0.0 |
0 |
|
|
138133 |
52317037 |
1 |
N3C16H17 |
A3B16C17 |
62.52 |
5.9 |
-8.98 |
-0.59 |
0 |
|
|
138134 |
52317038 |
1 |
N3C16H17 |
A3B16C17 |
63.65 |
6.83 |
-8.97 |
-0.58 |
0 |
|
|
138135 |
52317039 |
1 |
S2N3C14H15 |
A2B3C14D15 |
74.14 |
4.71 |
-8.45 |
-0.7 |
1 |
|
|
138136 |
52317134 |
1 |
ON8C23H25 |
AB8C23D25 |
103.04 |
8.23 |
0.0 |
0.0 |
0 |
|
|
138137 |
52317429 |
1 |
SN2O3C13H18 |
AB2C3D13E18 |
-125.93 |
6.35 |
-8.85 |
-0.55 |
0 |
|
|
138138 |
52317430 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-84.98 |
6.01 |
-8.78 |
-0.39 |
1 |
|
|
138139 |
52317707 |
3 |
FON2C6H6 |
ABC2D6E6 |
-176.63 |
1.28 |
0.0 |
0.0 |
1 |
|
|
138140 |
52317812 |
1 |
O2N4C22H31 |
A2B4C22D31 |
-62.09 |
0.94 |
0.0 |
0.0 |
1 |
|
|
138141 |
52317813 |
1 |
O2N4C22H29 |
A2B4C22D29 |
-53.36 |
0.88 |
0.0 |
0.0 |
1 |
|
|
138142 |
52317814 |
1 |
O3N4C24H27 |
A3B4C24D27 |
-48.9 |
2.58 |
0.0 |
0.0 |
1 |
|
|
138143 |
52317815 |
1 |
FO2N4C24H26 |
AB2C4D24E26 |
-52.25 |
6.38 |
0.0 |
0.0 |
1 |
|
|
138144 |
52317816 |
1 |
N4O4C25H29 |
A4B4C25D29 |
-94.39 |
1.58 |
0.0 |
0.0 |
0 |
|
|
138145 |
52317991 |
1 |
ClN3O5H18C21 |
AB3C5D18E21 |
-143.41 |
5.04 |
-8.69 |
-1.05 |
0 |
|
|
138146 |
52317992 |
1 |
ClN3O5H18C21 |
AB3C5D18E21 |
-144.16 |
2.92 |
-8.66 |
-1.09 |
0 |
|
|
138147 |
52317993 |
1 |
ClF2N3O4H14C20 |
AB2C3D4E14F20 |
-193.09 |
5.06 |
-9.55 |
-1.12 |
1 |
|
|
138148 |
52318063 |
1 |
FN4O4C23H26 |
AB4C4D23E26 |
-90.25 |
5.01 |
0.0 |
0.0 |
1 |
|
|
138149 |
52318064 |
1 |
FO3N4C23H26 |
AB3C4D23E26 |
-49.53 |
2.96 |
0.0 |
0.0 |
1 |
|
|
138150 |
52318065 |
1 |
FO3N4C23H26 |
AB3C4D23E26 |
-51.99 |
4.2 |
0.0 |
0.0 |
0 |
|
|
138151 |
52318410 |
1 |
SN3O3H11C14 |
AB3C3D11E14 |
-59.14 |
5.5 |
-8.35 |
-0.93 |
-1 |
|
|
138152 |
52318411 |
1 |
BrSN2O3H10C15 |
ABC2D3E10F15 |
-24.83 |
12.71 |
0.0 |
0.0 |
0 |
|
|
138153 |
52319051 |
1 |
ClSO2N4H25C26 |
ABC2D4E25F26 |
-10.03 |
9.39 |
-8.89 |
-0.96 |
0 |
|
|
138154 |
52319052 |
2 |
OSN2C12H12 |
ABC2D12E12 |
9.22 |
9.46 |
-8.72 |
-0.84 |
0 |
|
|
138155 |
52319358 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-77.43 |
4.29 |
-10.01 |
-0.61 |
-1 |
|
|
138156 |
52320319 |
1 |
FN3O5C19H19 |
AB3C5D19E19 |
-170.59 |
6.51 |
0.0 |
0.0 |
0 |
|
|
138157 |
52320320 |
1 |
FN3O5C19H20 |
AB3C5D19E20 |
-200.64 |
8.0 |
-9.34 |
-1.26 |
-1 |
|
|
138158 |
52320613 |
1 |
N3O4H18C24 |
A3B4C18D24 |
-3.71 |
4.32 |
0.0 |
0.0 |
-1 |
|
|
138159 |
52320772 |
1 |
FN2O4H14C20 |
AB2C4D14E20 |
-110.48 |
9.83 |
0.0 |
0.0 |
0 |
|
|
138160 |
52320987 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-13.26 |
6.99 |
-8.76 |
-0.64 |
0 |
|
|
138161 |
52321560 |
1 |
S2O3N5H15C16 |
A2B3C5D15E16 |
5.53 |
8.66 |
-9.5 |
-1.36 |
-1 |
|
|
138162 |
52321561 |
1 |
S2O3N5H14C16 |
A2B3C5D14E16 |
35.23 |
5.48 |
0.0 |
0.0 |
0 |
|
|
138163 |
52321903 |
1 |
SN2O5H20C22 |
AB2C5D20E22 |
-136.92 |
2.63 |
-8.7 |
-0.61 |
1 |
|
|
138164 |
52321966 |
1 |
O2N6C19H27 |
A2B6C19D27 |
-10.6 |
14.73 |
0.0 |
0.0 |
0 |
|
|
138165 |
52322174 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-106.65 |
8.17 |
-9.2 |
-1.09 |
0 |
|
|
138166 |
52322218 |
1 |
SF3H5N6C8 |
AB3C5D6E8 |
15.03 |
1.93 |
-10.13 |
-2.39 |
-1 |
|
|
138167 |
52322289 |
3 |
ON2C7H7 |
AB2C7D7 |
9.31 |
7.64 |
0.0 |
0.0 |
1 |
|
|
138168 |
52322397 |
1 |
N4O4C12H19 |
A4B4C12D19 |
-126.34 |
5.03 |
0.0 |
0.0 |
0 |
|
|
138169 |
52323095 |
1 |
ClSO4N5H14C17 |
ABC4D5E14F17 |
1.48 |
13.64 |
-9.62 |
-1.92 |
-1 |
|
|
138170 |
52323170 |
1 |
ClSN2O5H16C18 |
ABC2D5E16F18 |
-116.41 |
2.74 |
0.0 |
0.0 |
0 |
|
|
138171 |
52323265 |
1 |
SN4O4C26H30 |
AB4C4D26E30 |
-97.19 |
2.06 |
-8.86 |
-1.3 |
1 |
|
|
138172 |
52323266 |
1 |
N2O3C14H29 |
A2B3C14D29 |
-158.69 |
3.33 |
0.0 |
0.0 |
0 |
|
|
138173 |
52323399 |
1 |
FO2N3H22C26 |
AB2C3D22E26 |
-6.14 |
5.64 |
-9.13 |
-1.0 |
1 |
|
|
138174 |
52323456 |
1 |
OSN3C20H22 |
ABC3D20E22 |
40.57 |
10.03 |
0.0 |
0.0 |
0 |
|
|
138175 |
52323590 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-153.39 |
6.41 |
-8.76 |
-0.52 |
0 |
|
|
138176 |
52323730 |
1 |
ClN3O5C24H26 |
AB3C5D24E26 |
-143.92 |
10.11 |
-8.32 |
-0.66 |
0 |
|
|
138177 |
52324176 |
1 |
ClO2N4C21H21 |
AB2C4D21E21 |
31.62 |
2.9 |
-9.3 |
-0.75 |
1 |
|
|
138178 |
52324439 |
1 |
NOC12H18 |
ABC12D18 |
18.07 |
14.32 |
0.0 |
0.0 |
1 |
|
|
138179 |
52324593 |
1 |
ClNC6H13 |
ABC6D13 |
-17.78 |
3.97 |
0.0 |
0.0 |
0 |
|
|
138180 |
52324862 |
1 |
O3N5C25H29 |
A3B5C25D29 |
-67.39 |
2.79 |
-8.82 |
-0.82 |
0 |
|
|
138181 |
52324957 |
1 |
SCl2N3O4H17C22 |
AB2C3D4E17F22 |
-72.45 |
6.11 |
-9.32 |
-1.14 |
0 |
|
|
138182 |
52325557 |
1 |
SN2O5C21H24 |
AB2C5D21E24 |
-164.68 |
6.43 |
-8.95 |
-0.95 |
0 |
|
|
138183 |
52325558 |
1 |
SN2O5C21H24 |
AB2C5D21E24 |
-162.33 |
11.41 |
-8.71 |
-0.64 |
0 |
|
|
138184 |
52325559 |
1 |
SN2O6C20H22 |
AB2C6D20E22 |
-192.58 |
8.25 |
-8.92 |
-0.77 |
0 |
|
|
138185 |
52325658 |
1 |
FON5C23H24 |
ABC5D23E24 |
-4.1 |
1.19 |
-9.03 |
-0.28 |
0 |
|
|
138186 |
52326279 |
1 |
FN2O3C23H29 |
AB2C3D23E29 |
-143.54 |
2.36 |
-8.71 |
-0.13 |
0 |
|
|
138187 |
52326280 |
1 |
FN2O3C23H29 |
AB2C3D23E29 |
-142.84 |
7.44 |
-8.8 |
-0.02 |
0 |
|
|
138188 |
52326616 |
1 |
ClNSO4C20H22 |
ABCD4E20F22 |
-150.81 |
1.96 |
-9.39 |
-0.95 |
1 |
|
|
138189 |
52326617 |
1 |
ON2C22H25 |
AB2C22D25 |
33.18 |
5.38 |
0.0 |
0.0 |
0 |
|
|
138190 |
52326618 |
1 |
ON2C22H24 |
AB2C22D24 |
18.62 |
3.46 |
-8.84 |
-0.61 |
0 |
|
|
138191 |
52326619 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-86.29 |
2.31 |
-9.35 |
-0.14 |
1 |
|
|
138192 |
52326620 |
1 |
ON2C22H25 |
AB2C22D25 |
24.33 |
4.24 |
0.0 |
0.0 |
0 |
|
|
138193 |
52326978 |
1 |
N4O5C17H20 |
A4B5C17D20 |
-68.21 |
3.76 |
-9.8 |
-1.39 |
0 |
|
|
138194 |
52327196 |
4 |
NOC5H7 |
ABC5D7 |
-132.29 |
2.06 |
-9.31 |
-0.45 |
0 |
|
|
138195 |
52327197 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-82.93 |
5.2 |
-8.06 |
-0.23 |
0 |
|
|
138196 |
52327198 |
1 |
S2F3N3O3H14C15 |
A2B3C3D3E14F15 |
-221.33 |
4.43 |
-9.43 |
-1.44 |
0 |
|
|
138197 |
52327199 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-123.84 |
4.87 |
-9.14 |
-0.51 |
0 |
|
|
138198 |
52327200 |
1 |
SN3O3H15C16 |
AB3C3D15E16 |
-49.37 |
5.53 |
-9.08 |
-0.97 |
0 |
|
|
138199 |
52327201 |
1 |
O2N6H22C23 |
A2B6C22D23 |
23.91 |
4.54 |
-8.63 |
-1.23 |
0 |
|
|
138200 |
52327230 |
1 |
NO3C20H27 |
AB3C20D27 |
-125.85 |
5.19 |
-9.11 |
-0.54 |
1 |
|
|
138201 |
52327319 |
1 |
OSN5H18C19 |
ABC5D18E19 |
79.78 |
9.08 |
0.0 |
0.0 |
0 |
|
|
138202 |
52327391 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-133.76 |
6.54 |
-9.92 |
0.36 |
0 |
|
|
138203 |
52327668 |
1 |
BrN2O3H15C17 |
AB2C3D15E17 |
-28.55 |
6.67 |
-9.22 |
-0.82 |
0 |
|
|
138204 |
52327669 |
1 |
BrO3N4H13C17 |
AB3C4D13E17 |
11.93 |
4.17 |
-9.28 |
-1.42 |
0 |
|
|
138205 |
52327670 |
1 |
ON5H15C19 |
AB5C15D19 |
97.36 |
3.71 |
-9.18 |
-1.45 |
0 |
|
|
138206 |
52327825 |
1 |
ON3C21H21 |
AB3C21D21 |
35.89 |
5.54 |
-9.57 |
-1.05 |
-2 |
|
|
138207 |
52327826 |
1 |
ClSO2N4H5C8 |
ABC2D4E5F8 |
46.72 |
10.68 |
-8.93 |
-2.59 |
0 |
|
|
138208 |
52327966 |
1 |
N3O5C21H21 |
A3B5C21D21 |
-96.45 |
6.28 |
-9.01 |
-1.4 |
0 |
|
|
138209 |
52328328 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-69.29 |
10.07 |
-9.37 |
-1.52 |
0 |
|
|
138210 |
52328485 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-108.95 |
4.1 |
-9.18 |
0.24 |
0 |
|
|
138211 |
52328555 |
1 |
FSO2N3H20C22 |
ABC2D3E20F22 |
-41.92 |
2.96 |
-8.79 |
-1.19 |
0 |
|
|
138212 |
52328618 |
1 |
FOCl2N4H15C24 |
ABC2D4E15F24 |
62.32 |
5.65 |
-9.32 |
-1.5 |
0 |