List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
138313 |
52345743 |
1 |
ClN5C14H18 |
AB5C14D18 |
105.67 |
7.26 |
-9.63 |
-0.42 |
1 |
|
|
138314 |
52345744 |
1 |
ClON3C16H23 |
ABC3D16E23 |
28.2 |
5.94 |
0.0 |
0.0 |
0 |
|
|
138315 |
52345745 |
1 |
ClON3C16H22 |
ABC3D16E22 |
17.27 |
1.09 |
-9.33 |
-0.21 |
0 |
|
|
138316 |
52346248 |
1 |
ON2C16H24 |
AB2C16D24 |
-46.3 |
3.08 |
-9.21 |
0.38 |
1 |
|
|
138317 |
52346812 |
1 |
N3O3C22H30 |
A3B3C22D30 |
-70.85 |
1.85 |
0.0 |
0.0 |
0 |
|
|
138318 |
52347057 |
2 |
N2O2C9H9 |
A2B2C9D9 |
-10.93 |
9.72 |
-9.44 |
-1.23 |
0 |
|
|
138319 |
52347110 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-45.7 |
2.29 |
-8.67 |
-0.78 |
0 |
|
|
138320 |
52347270 |
1 |
SF2N4O4H14C15 |
AB2C4D4E14F15 |
-191.88 |
3.23 |
-9.06 |
-1.13 |
1 |
|
|
138321 |
52347892 |
1 |
O2N4C22H29 |
A2B4C22D29 |
4.65 |
6.29 |
0.0 |
0.0 |
0 |
|
|
138322 |
52348106 |
1 |
OSN6C18H20 |
ABC6D18E20 |
64.49 |
3.6 |
-8.47 |
-0.81 |
0 |
|
|
138323 |
52348276 |
1 |
ON4C11H18 |
AB4C11D18 |
0.23 |
5.69 |
-9.34 |
0.57 |
0 |
|
|
138324 |
52348277 |
1 |
ON4C16H28 |
AB4C16D28 |
-42.62 |
1.86 |
-9.39 |
0.81 |
1 |
|
|
138325 |
52348450 |
1 |
SN2O3C9H11 |
AB2C3D9E11 |
-73.86 |
1.89 |
0.0 |
0.0 |
0 |
|
|
138326 |
52348451 |
1 |
SN2O3C9H10 |
AB2C3D9E10 |
-77.35 |
7.06 |
-9.2 |
-0.79 |
0 |
|
|
138327 |
52348602 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-102.64 |
5.15 |
-8.2 |
0.1 |
0 |
|
|
138328 |
52348603 |
1 |
SO4N5C16H19 |
AB4C5D16E19 |
-25.46 |
7.36 |
-8.55 |
-1.56 |
0 |
|
|
138329 |
52348604 |
1 |
SO4N5C16H19 |
AB4C5D16E19 |
-21.96 |
10.88 |
-8.4 |
-1.62 |
0 |
|
|
138330 |
52348946 |
1 |
ON2C19H24 |
AB2C19D24 |
-8.27 |
2.0 |
-8.75 |
0.18 |
0 |
|
|
138331 |
52348947 |
1 |
BrON6H15C16 |
ABC6D15E16 |
72.01 |
7.57 |
-9.43 |
-1.25 |
0 |
|
|
138332 |
52349107 |
1 |
NO2S2H19C20 |
AB2C2D19E20 |
-7.22 |
5.04 |
-8.91 |
-0.12 |
0 |
|
|
138333 |
52349720 |
1 |
ClON4C20H21 |
ABC4D20E21 |
66.07 |
4.04 |
-8.39 |
-0.86 |
0 |
|
|
138334 |
52350415 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-64.46 |
2.98 |
-8.94 |
-1.03 |
1 |
|
|
138335 |
52350487 |
1 |
ClOSN4C19H22 |
ABCD4E19F22 |
77.87 |
5.28 |
0.0 |
0.0 |
0 |
|
|
138336 |
52350488 |
1 |
ClOSN4C19H21 |
ABCD4E19F21 |
57.33 |
1.67 |
-8.88 |
-1.32 |
0 |
|
|
138337 |
52351040 |
1 |
SCl2N2O2H16C17 |
AB2C2D2E16F17 |
-62.34 |
4.91 |
-9.19 |
-0.76 |
0 |
|
|
138338 |
52351213 |
2 |
ON2C10H10 |
AB2C10D10 |
8.15 |
4.11 |
-8.81 |
-0.68 |
-1 |
|
|
138339 |
52351249 |
1 |
SN2O5C17H23 |
AB2C5D17E23 |
-169.44 |
2.46 |
0.0 |
0.0 |
0 |
|
|
138340 |
52351250 |
1 |
SN2O5C17H24 |
AB2C5D17E24 |
-205.31 |
5.26 |
-9.68 |
-0.56 |
0 |
|
|
138341 |
52351726 |
1 |
ClSN2O2C17H21 |
ABC2D2E17F21 |
-34.11 |
6.58 |
-8.96 |
-0.84 |
0 |
|
|
138342 |
52352177 |
1 |
ClN3O4C13H14 |
AB3C4D13E14 |
-60.08 |
5.93 |
-10.05 |
-0.9 |
0 |
|
|
138343 |
52352178 |
1 |
ClN3O4C13H14 |
AB3C4D13E14 |
-59.38 |
3.32 |
-9.72 |
-1.04 |
0 |
|
|
138344 |
52352179 |
1 |
BrClN2O2C18H18 |
ABC2D2E18F18 |
-56.41 |
5.61 |
-9.52 |
-0.33 |
0 |
|
|
138345 |
52352184 |
1 |
SN2O3H16C18 |
AB2C3D16E18 |
-43.82 |
6.14 |
-9.11 |
-0.75 |
0 |
|
|
138346 |
52352288 |
1 |
OCl2N2H10C12 |
AB2C2D10E12 |
-2.44 |
1.6 |
-9.46 |
-0.85 |
0 |
|
|
138347 |
52352598 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-51.38 |
1.72 |
-8.95 |
-0.19 |
0 |
|
|
138348 |
52352676 |
1 |
O2N3H19C23 |
A2B3C19D23 |
77.63 |
7.45 |
-9.03 |
-0.96 |
0 |
|
|
138349 |
52352677 |
1 |
O2N3H19C23 |
A2B3C19D23 |
79.35 |
8.76 |
-9.01 |
-0.94 |
0 |
|
|
138350 |
52352678 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-26.76 |
4.26 |
-8.91 |
0.26 |
0 |
|
|
138351 |
52352679 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-25.17 |
4.07 |
-9.33 |
0.06 |
1 |
|
|
138352 |
52352680 |
1 |
O2N3C23H26 |
A2B3C23D26 |
30.14 |
3.8 |
0.0 |
0.0 |
0 |
|
|
138353 |
52352681 |
1 |
O2N3C23H25 |
A2B3C23D25 |
9.56 |
4.32 |
-8.93 |
-0.13 |
1 |
|
|
138354 |
52352682 |
1 |
O2N3C23H26 |
A2B3C23D26 |
31.52 |
5.27 |
0.0 |
0.0 |
0 |
|
|
138355 |
52352683 |
1 |
O2N3C23H25 |
A2B3C23D25 |
8.55 |
7.48 |
-9.02 |
-0.3 |
0 |
|
|
138356 |
52353084 |
1 |
FNO3H18C21 |
ABC3D18E21 |
-117.09 |
2.26 |
-9.09 |
-0.67 |
0 |
|
|
138357 |
52353318 |
1 |
OSN6C14H18 |
ABC6D14E18 |
78.43 |
3.77 |
-8.82 |
-0.92 |
0 |
|
|
138358 |
52353401 |
1 |
FSN2O2C16H17 |
ABC2D2E16F17 |
-92.17 |
2.68 |
-9.43 |
-1.14 |
0 |
|
|
138359 |
52353402 |
2 |
NOC9H14 |
ABC9D14 |
-104.29 |
1.45 |
-9.07 |
0.47 |
0 |
|
|
138360 |
52353589 |
2 |
OSN2C8H9 |
ABC2D8E9 |
16.5 |
3.0 |
-8.6 |
-0.97 |
0 |
|
|
138361 |
52354018 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-115.1 |
3.89 |
-8.42 |
0.02 |
0 |
|
|
138362 |
52354557 |
2 |
N2O2C10H17 |
A2B2C10D17 |
-192.85 |
5.42 |
-9.08 |
0.85 |
0 |
|
|
138363 |
52355163 |
2 |
NO3C11H15 |
AB3C11D15 |
-239.72 |
5.26 |
-9.08 |
-1.2 |
0 |
|
|
138364 |
52355331 |
1 |
SO2N6C16H22 |
AB2C6D16E22 |
14.17 |
7.56 |
-8.01 |
-0.74 |
1 |
|
|
138365 |
52355412 |
1 |
OF2N2C21H25 |
AB2C2D21E25 |
-85.64 |
4.13 |
0.0 |
0.0 |
0 |
|
|
138366 |
52356474 |
1 |
FN3O5C19H20 |
AB3C5D19E20 |
-185.82 |
1.47 |
-8.6 |
-0.7 |
2 |
|
|
138367 |
52356833 |
1 |
ClFOSN3C18H23 |
ABCDE3F18G23 |
-41.87 |
4.84 |
-8.24 |
-0.75 |
0 |
|
|
138368 |
52356859 |
1 |
FN2O4C21H25 |
AB2C4D21E25 |
-171.0 |
6.42 |
-8.55 |
-0.14 |
0 |
|
|
138369 |
52356860 |
1 |
FN2O4C21H25 |
AB2C4D21E25 |
-171.65 |
6.18 |
-8.49 |
-0.23 |
0 |
|
|
138370 |
52356947 |
2 |
NO2C11H14 |
AB2C11D14 |
-131.83 |
6.76 |
-8.51 |
-0.25 |
0 |
|
|
138371 |
52356960 |
1 |
FNO4C20H24 |
ABC4D20E24 |
-164.07 |
6.55 |
-8.51 |
-0.1 |
0 |
|
|
138372 |
52356973 |
2 |
NO2C11H14 |
AB2C11D14 |
-120.03 |
6.06 |
-8.3 |
0.01 |
0 |
|
|
138373 |
52357094 |
1 |
NSO3C20H23 |
ABC3D20E23 |
-82.64 |
7.11 |
-9.57 |
-0.59 |
0 |
|
|
138374 |
52357187 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-126.18 |
4.38 |
-8.36 |
-0.11 |
0 |
|
|
138375 |
52357223 |
1 |
ClOSN5C16H16 |
ABCD5E16F16 |
101.67 |
6.05 |
-9.29 |
-0.94 |
1 |
|
|
138376 |
52357484 |
1 |
NO2C5H14 |
AB2C5D14 |
-75.47 |
4.01 |
0.0 |
0.0 |
0 |
|
|
138377 |
52357728 |
1 |
NS2O4H19C21 |
AB2C4D19E21 |
-92.67 |
5.42 |
-9.15 |
-1.2 |
0 |
|
|
138378 |
52357751 |
1 |
SO2N6C17H24 |
AB2C6D17E24 |
5.03 |
5.44 |
-8.97 |
-0.66 |
1 |
|
|
138379 |
52357752 |
1 |
ClOSN6C16H20 |
ABCD6E16F20 |
103.35 |
7.92 |
0.0 |
0.0 |
1 |
|
|
138380 |
52357830 |
1 |
FN2O2C20H30 |
AB2C2D20E30 |
-117.99 |
4.99 |
0.0 |
0.0 |
0 |
|
|
138381 |
52357838 |
1 |
ON3S3C19H19 |
AB3C3D19E19 |
56.82 |
5.48 |
-8.62 |
-0.99 |
0 |
|
|
138382 |
52357839 |
1 |
ON3S3C19H19 |
AB3C3D19E19 |
54.66 |
4.17 |
-8.57 |
-0.95 |
1 |
|
|
138383 |
52357840 |
1 |
N2O2C17H25 |
A2B2C17D25 |
-34.54 |
4.76 |
0.0 |
0.0 |
0 |
|
|
138384 |
52357841 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-55.22 |
4.41 |
-9.34 |
0.12 |
0 |
|
|
138385 |
52357866 |
2 |
NOC9H12 |
ABC9D12 |
-22.6 |
3.83 |
-8.66 |
0.27 |
1 |
|
|
138386 |
52358090 |
1 |
N2O3C19H29 |
A2B3C19D29 |
-94.31 |
4.28 |
0.0 |
0.0 |
0 |
|
|
138387 |
52358345 |
1 |
OSN3C15H25 |
ABC3D15E25 |
-42.37 |
3.16 |
-8.77 |
-0.26 |
0 |
|
|
138388 |
52358366 |
1 |
OS2N3C17H19 |
AB2C3D17E19 |
12.23 |
4.16 |
-8.52 |
-0.47 |
0 |
|
|
138389 |
52358413 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-82.25 |
4.47 |
-9.55 |
-0.31 |
0 |
|
|
138390 |
52358414 |
1 |
OSN3C16H17 |
ABC3D16E17 |
18.74 |
4.81 |
-8.54 |
-0.39 |
0 |
|
|
138391 |
52358415 |
1 |
ON4C17H18 |
AB4C17D18 |
19.71 |
2.88 |
-8.46 |
-0.2 |
0 |
|
|
138392 |
52358643 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-112.15 |
2.21 |
-8.76 |
-0.36 |
1 |
|
|
138393 |
52358779 |
1 |
SN2O4C19H25 |
AB2C4D19E25 |
-107.82 |
7.28 |
0.0 |
0.0 |
0 |
|
|
138394 |
52359036 |
1 |
SN2O4C20H20 |
AB2C4D20E20 |
-99.79 |
5.53 |
-8.86 |
-1.34 |
0 |
|
|
138395 |
52359037 |
1 |
SN3O4C18H19 |
AB3C4D18E19 |
-79.43 |
7.75 |
-9.04 |
-1.19 |
0 |
|
|
138396 |
52359796 |
2 |
ON2C11H13 |
AB2C11D13 |
-11.49 |
6.24 |
-8.09 |
-0.16 |
0 |
|
|
138397 |
52359907 |
1 |
ClSN2O3C16H17 |
ABC2D3E16F17 |
-77.93 |
2.83 |
-9.2 |
-0.61 |
0 |
|
|
138398 |
52360202 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-81.74 |
5.94 |
-9.13 |
-0.58 |
0 |
|
|
138399 |
52360203 |
1 |
O3N4C20H22 |
A3B4C20D22 |
-80.98 |
2.46 |
-8.93 |
-0.17 |
0 |
|
|
138400 |
52360204 |
1 |
ClOSN3H18C19 |
ABCD3E18F19 |
20.99 |
2.99 |
-8.91 |
-0.64 |
0 |
|
|
138401 |
52360438 |
1 |
ClN2O3C21H25 |
AB2C3D21E25 |
-97.18 |
3.55 |
-8.38 |
-0.24 |
0 |
|
|
138402 |
52360947 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-58.05 |
3.39 |
-9.18 |
-0.37 |
0 |
|
|
138403 |
52360965 |
1 |
ClFOSN2C17H20 |
ABCDE2F17G20 |
-49.2 |
3.62 |
-9.14 |
-0.47 |
1 |
|
|
138404 |
52360966 |
1 |
ClFOSN2C17H21 |
ABCDE2F17G21 |
-29.36 |
3.3 |
0.0 |
0.0 |
0 |
|
|
138405 |
52361101 |
1 |
SN2O4C19H28 |
AB2C4D19E28 |
-164.9 |
5.27 |
-9.11 |
-0.8 |
0 |
|
|
138406 |
52361254 |
1 |
BrN2O4C17H21 |
AB2C4D17E21 |
-162.76 |
3.43 |
-8.44 |
-0.2 |
1 |
|
|
138407 |
52361599 |
1 |
N3O4C22H30 |
A3B4C22D30 |
-81.12 |
3.37 |
0.0 |
0.0 |
1 |
|
|
138408 |
52362303 |
1 |
O2N3C21H28 |
A2B3C21D28 |
-42.14 |
3.25 |
0.0 |
0.0 |
0 |
|
|
138409 |
52362726 |
1 |
SO3N6H16C18 |
AB3C6D16E18 |
84.21 |
1.33 |
-9.12 |
-2.01 |
1 |
|
|
138410 |
52363052 |
1 |
N3C19H20 |
A3B19C20 |
110.76 |
3.89 |
0.0 |
0.0 |
0 |
|
|
138411 |
52363053 |
1 |
N3C19H19 |
A3B19C19 |
91.53 |
3.9 |
-8.91 |
-0.52 |
1 |
|
|
138412 |
52363054 |
1 |
N3C19H20 |
A3B19C20 |
112.59 |
4.16 |
0.0 |
0.0 |
0 |