List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130507 |
51090986 |
1 |
F3N3O3C14H16 |
A3B3C3D14E16 |
-279.42 |
5.89 |
-9.28 |
-1.85 |
0 |
|
|
130508 |
51090987 |
1 |
ON4C17H30 |
AB4C17D30 |
-46.65 |
5.56 |
-8.54 |
0.21 |
0 |
|
|
130509 |
51090989 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-79.3 |
3.64 |
-9.11 |
-0.69 |
0 |
|
|
130510 |
51090990 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-24.16 |
4.59 |
-9.1 |
-0.42 |
0 |
|
|
130511 |
51090995 |
2 |
ON2C8H10 |
AB2C8D10 |
-30.06 |
1.75 |
-9.39 |
-1.3 |
0 |
|
|
130512 |
51090996 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-110.13 |
0.58 |
-9.36 |
0.16 |
0 |
|
|
130513 |
51091004 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
27.25 |
0.98 |
-8.71 |
-0.61 |
0 |
|
|
130514 |
51091006 |
1 |
O2S2N4H14C15 |
A2B2C4D14E15 |
51.41 |
7.12 |
-9.38 |
-1.65 |
0 |
|
|
130515 |
51091010 |
1 |
OSN3C17H17 |
ABC3D17E17 |
40.36 |
6.81 |
-8.29 |
-0.62 |
0 |
|
|
130516 |
51091014 |
1 |
OSN4C17H22 |
ABC4D17E22 |
38.21 |
7.42 |
-8.79 |
-0.37 |
0 |
|
|
130517 |
51091015 |
1 |
OS2N4C14H18 |
AB2C4D14E18 |
32.69 |
5.1 |
-8.58 |
-0.77 |
0 |
|
|
130518 |
51091018 |
1 |
O2S2N3C16H19 |
A2B2C3D16E19 |
-39.82 |
4.74 |
-8.73 |
-0.7 |
0 |
|
|
130519 |
51091033 |
1 |
O4N5C15H19 |
A4B5C15D19 |
-102.12 |
4.61 |
-8.8 |
-0.29 |
0 |
|
|
130520 |
51091038 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-78.12 |
2.8 |
-8.12 |
0.61 |
0 |
|
|
130521 |
51091041 |
1 |
ON3C14H23 |
AB3C14D23 |
-42.76 |
5.14 |
-9.24 |
-0.27 |
0 |
|
|
130522 |
51091047 |
2 |
FN2C9H11 |
AB2C9D11 |
-35.69 |
7.88 |
-8.72 |
-0.13 |
0 |
|
|
130523 |
51091080 |
1 |
NO4C16H23 |
AB4C16D23 |
-150.71 |
2.35 |
-8.98 |
0.17 |
0 |
|
|
130524 |
51091084 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-35.17 |
5.01 |
-9.82 |
-1.16 |
0 |
|
|
130525 |
51091087 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-93.98 |
4.86 |
-8.98 |
-0.6 |
0 |
|
|
130526 |
51091090 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-77.97 |
1.58 |
-9.04 |
-0.61 |
0 |
|
|
130527 |
51091092 |
1 |
FNO3C16H22 |
ABC3D16E22 |
-165.37 |
2.39 |
-8.89 |
-0.1 |
0 |
|
|
130528 |
51091094 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-43.71 |
3.72 |
-8.75 |
-0.19 |
0 |
|
|
130529 |
51091096 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-60.86 |
1.02 |
-9.47 |
-0.68 |
0 |
|
|
130530 |
51091103 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-29.46 |
3.66 |
-9.38 |
-1.16 |
0 |
|
|
130531 |
51091104 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-149.51 |
3.58 |
-8.83 |
-0.41 |
0 |
|
|
130532 |
51091115 |
1 |
NO3C15H21 |
AB3C15D21 |
-117.99 |
1.34 |
-8.8 |
0.17 |
0 |
|
|
130533 |
51091117 |
1 |
NF2O2C13H15 |
AB2C2D13E15 |
-163.78 |
2.44 |
-9.68 |
-0.82 |
0 |
|
|
130534 |
51091120 |
1 |
NF2O4C15H19 |
AB2C4D15E19 |
-251.71 |
3.93 |
-9.24 |
-0.54 |
0 |
|
|
130535 |
51091121 |
1 |
NO3C16H19 |
AB3C16D19 |
-91.11 |
2.6 |
-9.16 |
-0.66 |
0 |
|
|
130536 |
51091132 |
1 |
NO2C15H21 |
AB2C15D21 |
-83.36 |
3.38 |
-9.34 |
-0.04 |
0 |
|
|
130537 |
51091138 |
1 |
NO4C15H21 |
AB4C15D21 |
-140.66 |
4.19 |
-8.77 |
-0.12 |
0 |
|
|
130538 |
51091145 |
2 |
NOC9H11 |
ABC9D11 |
-69.22 |
6.11 |
-8.59 |
0.08 |
0 |
|
|
130539 |
51091147 |
1 |
O2N3C21H21 |
A2B3C21D21 |
-37.16 |
7.57 |
-8.56 |
-0.17 |
0 |
|
|
130540 |
51091148 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-81.84 |
6.09 |
-8.7 |
-0.13 |
0 |
|
|
130541 |
51091151 |
1 |
NSF2O3H13C14 |
ABC2D3E13F14 |
-156.25 |
7.65 |
-9.33 |
-0.52 |
0 |
|
|
130542 |
51091157 |
1 |
NSO2F4H9C13 |
ABC2D4E9F13 |
-203.21 |
4.83 |
-9.64 |
-1.13 |
0 |
|
|
130543 |
51091166 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-37.75 |
7.94 |
-9.5 |
-0.88 |
0 |
|
|
130544 |
51091170 |
1 |
NSO4C17H19 |
ABC4D17E19 |
-110.74 |
8.56 |
-9.43 |
-0.96 |
0 |
|
|
130545 |
51091171 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-74.76 |
7.16 |
-8.75 |
-0.33 |
0 |
|
|
130546 |
51091177 |
1 |
O2N5H15C18 |
A2B5C15D18 |
50.7 |
5.31 |
-9.11 |
-1.1 |
0 |
|
|
130547 |
51091180 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
-8.0 |
5.7 |
-8.95 |
-1.01 |
0 |
|
|
130548 |
51091193 |
1 |
NSF2O4C14H17 |
ABC2D4E14F17 |
-247.36 |
8.19 |
-9.32 |
-0.68 |
0 |
|
|
130549 |
51091203 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-27.2 |
6.08 |
-8.87 |
-1.52 |
0 |
|
|
130550 |
51091205 |
1 |
N3O4C14H21 |
A3B4C14D21 |
-155.27 |
6.31 |
-8.41 |
-0.09 |
0 |
|
|
130551 |
51091206 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-76.97 |
4.4 |
-9.02 |
-0.28 |
0 |
|
|
130552 |
51091208 |
1 |
N3O3C13H13 |
A3B3C13D13 |
-0.4 |
8.33 |
-9.5 |
-1.19 |
0 |
|
|
130553 |
51091209 |
1 |
ON3H13C14 |
AB3C13D14 |
48.51 |
2.23 |
-8.68 |
-0.43 |
0 |
|
|
130554 |
51091213 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-77.27 |
2.52 |
-8.22 |
0.4 |
0 |
|
|
130555 |
51091216 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-51.3 |
6.77 |
-8.55 |
-1.1 |
0 |
|
|
130556 |
51091217 |
1 |
ClSO3N4C13H15 |
ABC3D4E13F15 |
16.41 |
4.36 |
-9.47 |
-1.69 |
0 |
|
|
130557 |
51091219 |
1 |
NS2O6C13H19 |
AB2C6D13E19 |
-235.3 |
5.93 |
-10.0 |
-1.06 |
0 |
|
|
130558 |
51091227 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-186.38 |
5.12 |
-9.58 |
-0.29 |
0 |
|
|
130559 |
51091228 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-99.98 |
2.07 |
-8.91 |
-0.2 |
0 |
|
|
130560 |
51091231 |
2 |
ON2C9H10 |
AB2C9D10 |
-31.66 |
5.66 |
-8.99 |
-0.24 |
0 |
|
|
130561 |
51091233 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-41.99 |
10.15 |
-8.84 |
-0.67 |
0 |
|
|
130562 |
51091263 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-96.45 |
5.84 |
-9.04 |
-0.27 |
0 |
|
|
130563 |
51091286 |
1 |
O3N5H13C16 |
A3B5C13D16 |
2.75 |
6.91 |
-8.66 |
-1.28 |
0 |
|
|
130564 |
51091289 |
1 |
O2N5C16H19 |
A2B5C16D19 |
-27.62 |
9.28 |
-9.35 |
-0.93 |
0 |
|
|
130565 |
51091291 |
1 |
SO3N5C12H15 |
AB3C5D12E15 |
-51.05 |
3.13 |
-9.7 |
-1.3 |
0 |
|
|
130566 |
51091296 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-70.3 |
2.11 |
-8.52 |
-1.09 |
0 |
|
|
130567 |
51091299 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-151.19 |
3.78 |
-8.62 |
-0.4 |
0 |
|
|
130568 |
51091300 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-149.95 |
4.93 |
-8.97 |
-0.53 |
0 |
|
|
130569 |
51091302 |
1 |
ClN2O4H15C16 |
AB2C4D15E16 |
-134.49 |
3.67 |
-8.81 |
-1.4 |
0 |
|
|
130570 |
51091304 |
1 |
ClNSO5C14H16 |
ABCD5E14F16 |
-174.94 |
1.06 |
-8.87 |
-0.31 |
0 |
|
|
130571 |
51091308 |
1 |
OSN5H13C14 |
ABC5D13E14 |
64.82 |
2.75 |
-8.78 |
-0.3 |
0 |
|
|
130572 |
51091315 |
1 |
N4O5C12H12 |
A4B5C12D12 |
-39.17 |
5.8 |
-10.22 |
-2.01 |
0 |
|
|
130573 |
51091321 |
1 |
N4O4H12C13 |
A4B4C12D13 |
15.3 |
4.75 |
-10.45 |
-1.96 |
0 |
|
|
130574 |
51091323 |
2 |
NO3C8H8 |
AB3C8D8 |
-113.64 |
6.75 |
-9.21 |
-1.21 |
0 |
|
|
130575 |
51091324 |
1 |
N2O5H16C18 |
A2B5C16D18 |
-97.68 |
2.68 |
-9.04 |
-1.29 |
0 |
|
|
130576 |
51091329 |
1 |
F2N2O3C12H12 |
A2B2C3D12E12 |
-202.3 |
7.73 |
-9.25 |
-0.81 |
0 |
|
|
130577 |
51091341 |
1 |
N3O5C14H15 |
A3B5C14D15 |
-66.46 |
6.37 |
-9.63 |
-1.44 |
0 |
|
|
130578 |
51091345 |
1 |
SN2O6C12H16 |
AB2C6D12E16 |
-221.54 |
4.58 |
-9.69 |
-0.45 |
0 |
|
|
130579 |
51091354 |
2 |
NOC10H10 |
ABC10D10 |
-21.12 |
2.95 |
-8.8 |
-0.34 |
0 |
|
|
130580 |
51091356 |
1 |
BrOSN3C12H14 |
ABCD3E12F14 |
3.11 |
1.16 |
-9.14 |
-0.59 |
0 |
|
|
130581 |
51091362 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-77.77 |
2.77 |
-9.4 |
-0.72 |
0 |
|
|
130582 |
51091363 |
1 |
SN5C17H21 |
AB5C17D21 |
120.46 |
8.43 |
-9.1 |
-0.9 |
0 |
|
|
130583 |
51091368 |
1 |
ClN2O3C18H19 |
AB2C3D18E19 |
-89.06 |
5.4 |
-9.27 |
-0.18 |
0 |
|
|
130584 |
51091373 |
1 |
FO3N4C15H17 |
AB3C4D15E17 |
-110.63 |
2.26 |
-10.1 |
-0.53 |
0 |
|
|
130585 |
51091384 |
1 |
N2O3H16C20 |
A2B3C16D20 |
-19.01 |
5.02 |
-9.05 |
-0.95 |
0 |
|
|
130586 |
51091386 |
1 |
N3O4H15C18 |
A3B4C15D18 |
10.46 |
8.0 |
-9.4 |
-1.15 |
0 |
|
|
130587 |
51091392 |
1 |
S2N5C16H17 |
A2B5C16D17 |
123.53 |
4.36 |
-8.49 |
-0.82 |
0 |
|
|
130588 |
51091393 |
1 |
OS2N4C14H16 |
AB2C4D14E16 |
32.33 |
5.03 |
-8.44 |
-0.8 |
0 |
|
|
130589 |
51091398 |
1 |
S2N3O3H13C15 |
A2B3C3D13E15 |
-50.6 |
4.07 |
-8.48 |
-0.96 |
0 |
|
|
130590 |
51091404 |
1 |
NO5C17H23 |
AB5C17D23 |
-200.44 |
3.49 |
-9.0 |
-0.74 |
0 |
|
|
130591 |
51091406 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-12.33 |
7.38 |
-9.18 |
-1.11 |
0 |
|
|
130592 |
51091409 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-85.11 |
4.61 |
-9.01 |
-0.66 |
0 |
|
|
130593 |
51091425 |
1 |
O2N3H19C20 |
A2B3C19D20 |
55.11 |
5.3 |
-9.38 |
-0.76 |
0 |
|
|
130594 |
51091447 |
1 |
NSO4C16H25 |
ABC4D16E25 |
-179.24 |
2.76 |
-8.67 |
0.32 |
0 |
|
|
130595 |
51091469 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-17.16 |
4.11 |
-9.23 |
-0.83 |
0 |
|
|
130596 |
51091496 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-159.13 |
3.96 |
-8.98 |
-0.12 |
0 |
|
|
130597 |
51091501 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-5.8 |
5.0 |
-8.77 |
-0.79 |
0 |
|
|
130598 |
51091502 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-35.78 |
5.25 |
-8.99 |
-0.99 |
0 |
|
|
130599 |
51091524 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-117.62 |
7.83 |
-8.64 |
-0.54 |
0 |
|
|
130600 |
51091549 |
1 |
FNSO3C14H18 |
ABCD3E14F18 |
-155.82 |
4.56 |
-9.81 |
-0.41 |
0 |
|
|
130601 |
51091574 |
1 |
NO4C19H23 |
AB4C19D23 |
-121.54 |
5.72 |
-8.38 |
-0.02 |
0 |
|
|
130602 |
51091578 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-105.66 |
7.63 |
-9.19 |
-0.48 |
0 |
|
|
130603 |
51091586 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-129.32 |
4.06 |
-8.71 |
0.25 |
0 |
|
|
130604 |
51091604 |
2 |
NO2H7C9 |
AB2C7D9 |
-93.46 |
8.14 |
-8.89 |
-1.12 |
0 |
|
|
130605 |
51091617 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-68.64 |
1.55 |
-9.0 |
-0.63 |
0 |
|
|
130606 |
51091623 |
1 |
O3N4H16C18 |
A3B4C16D18 |
-50.48 |
3.52 |
-9.62 |
-1.49 |
0 |