List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
14392 |
410684 |
1 |
O3C8H12 |
A3B8C12 |
-114.6 |
6.56 |
-10.55 |
0.33 |
0 |
|
|
14393 |
410685 |
1 |
NC15H17 |
AB15C17 |
17.11 |
1.4 |
-7.93 |
-0.13 |
0 |
|
|
14394 |
410687 |
1 |
ClH17C25 |
AB17C25 |
90.32 |
2.18 |
-9.02 |
-0.71 |
0 |
|
|
14395 |
410688 |
2 |
OH10C13 |
AB10C13 |
14.0 |
0.81 |
-8.98 |
-0.27 |
0 |
|
|
14396 |
410734 |
1 |
HgCl2O2H8C13 |
AB2C2D8E13 |
11.66 |
2.71 |
-9.78 |
-1.22 |
0 |
|
|
14397 |
410735 |
1 |
NSO4H13C20 |
ABC4D13E20 |
-65.29 |
4.14 |
-8.77 |
-1.28 |
0 |
|
|
14398 |
410773 |
1 |
NC13H19 |
AB13C19 |
5.87 |
1.61 |
-8.63 |
0.48 |
0 |
|
|
14399 |
410775 |
1 |
INC19H19 |
ABC19D19 |
74.12 |
3.21 |
0.0 |
0.0 |
1 |
|
|
14400 |
410786 |
1 |
NF3C11H15 |
AB3C11D15 |
-123.04 |
7.26 |
0.0 |
0.0 |
1 |
|
|
14401 |
410801 |
1 |
NC19H26 |
AB19C26 |
42.3 |
2.44 |
0.0 |
0.0 |
1 |
|
|
14402 |
410802 |
1 |
NC19H26 |
AB19C26 |
32.57 |
1.25 |
0.0 |
0.0 |
1 |
|
|
14403 |
410803 |
1 |
NC19H36 |
AB19C36 |
-1.32 |
0.31 |
0.0 |
0.0 |
1 |
|
|
14404 |
410811 |
1 |
ClNOC10H14 |
ABCD10E14 |
-2.18 |
3.16 |
-9.38 |
-0.87 |
0 |
|
|
14405 |
410813 |
1 |
NO3C7H13 |
AB3C7D13 |
-136.79 |
5.35 |
-9.6 |
0.89 |
0 |
|
|
14406 |
410823 |
1 |
NO3H15C17 |
AB3C15D17 |
-56.6 |
5.96 |
-9.24 |
-0.71 |
0 |
|
|
14407 |
410837 |
1 |
NOH21C22 |
ABC21D22 |
38.09 |
3.38 |
-9.08 |
-0.63 |
0 |
|
|
14408 |
410838 |
1 |
NSC21H23 |
ABC21D23 |
59.31 |
3.47 |
-8.0 |
0.09 |
0 |
|
|
14409 |
410839 |
1 |
NO2C21H21 |
AB2C21D21 |
-22.89 |
2.68 |
-8.81 |
0.07 |
0 |
|
|
14410 |
410840 |
1 |
NC21H21 |
AB21C21 |
67.36 |
1.67 |
-8.97 |
0.12 |
0 |
|
|
14411 |
410841 |
1 |
NO2C23H23 |
AB2C23D23 |
-13.4 |
0.88 |
-8.79 |
0.08 |
0 |
|
|
14412 |
410916 |
1 |
BrN3O3C20H24 |
AB3C3D20E24 |
-89.49 |
5.74 |
-8.63 |
-0.86 |
0 |
|
|
14413 |
410922 |
1 |
N3C25H27 |
A3B25C27 |
79.6 |
2.57 |
-8.17 |
-0.21 |
0 |
|
|
14414 |
410936 |
1 |
ClO5C18H18 |
AB5C18D18 |
-64.56 |
2.93 |
0.0 |
0.0 |
1 |
|
|
14415 |
410945 |
1 |
NO4C11H20 |
AB4C11D20 |
-150.68 |
1.16 |
0.0 |
0.0 |
1 |
|
|
14416 |
410946 |
1 |
ZnN4O4C34H36 |
AB4C4D34E36 |
39.01 |
7.61 |
-8.08 |
-1.16 |
-4 |
|
|
14417 |
410947 |
2 |
N2O2C17H20 |
A2B2C17D20 |
-89.68 |
4.58 |
-7.75 |
-0.95 |
0 |
|
|
14418 |
410951 |
1 |
SCl2H2N4C5 |
AB2C2D4E5 |
107.16 |
3.72 |
-10.15 |
-2.26 |
0 |
|
|
14419 |
410952 |
1 |
ClON7H8C11 |
ABC7D8E11 |
120.46 |
7.22 |
-9.34 |
-1.41 |
0 |
|
|
14420 |
411057 |
1 |
SN2C10H14 |
AB2C10D14 |
20.34 |
2.41 |
-9.02 |
-0.22 |
0 |
|
|
14421 |
411060 |
1 |
NO3C12H15 |
AB3C12D15 |
-109.08 |
6.19 |
-9.11 |
-0.1 |
0 |
|
|
14422 |
411062 |
1 |
PN3O4C12H30 |
AB3C4D12E30 |
-246.0 |
4.83 |
-8.48 |
0.92 |
0 |
|
|
14423 |
411073 |
1 |
NO2C22H25 |
AB2C22D25 |
-28.78 |
2.2 |
-8.87 |
-0.5 |
0 |
|
|
14424 |
411082 |
2 |
NC11H17 |
AB11C17 |
88.75 |
3.14 |
-3.57 |
-2.54 |
2 |
|
|
14425 |
411105 |
1 |
ON2C22H32 |
AB2C22D32 |
-13.48 |
1.43 |
-8.62 |
0.28 |
0 |
|
|
14426 |
411138 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-64.32 |
3.44 |
-8.94 |
-0.48 |
0 |
|
|
14427 |
411141 |
2 |
NOC13H20 |
ABC13D20 |
-90.79 |
1.74 |
-8.34 |
0.32 |
0 |
|
|
14428 |
411163 |
1 |
ClNC18H22 |
ABC18D22 |
25.89 |
1.93 |
-8.95 |
0.16 |
0 |
|
|
14429 |
411268 |
1 |
NOS2C8H9 |
ABC2D8E9 |
11.3 |
1.83 |
-8.64 |
-0.47 |
0 |
|
|
14430 |
411293 |
1 |
NO2C16H17 |
AB2C16D17 |
-28.25 |
4.28 |
-9.39 |
-0.76 |
0 |
|
|
14431 |
411299 |
2 |
SN2C8H17 |
AB2C8D17 |
-23.41 |
1.84 |
-8.84 |
0.16 |
0 |
|
|
14432 |
411300 |
1 |
NO2H14C17 |
AB2C14D17 |
-0.34 |
6.77 |
0.0 |
0.0 |
1 |
|
|
14433 |
411301 |
1 |
NOH16C17 |
ABC16D17 |
23.97 |
1.7 |
0.0 |
0.0 |
1 |
|
|
14434 |
411302 |
1 |
NO3C17H19 |
AB3C17D19 |
-69.9 |
3.11 |
-8.9 |
-0.24 |
0 |
|
|
14435 |
411307 |
1 |
NOC17H21 |
ABC17D21 |
-11.74 |
1.21 |
-9.15 |
0.19 |
0 |
|
|
14436 |
411312 |
1 |
NO3C18H21 |
AB3C18D21 |
-77.75 |
3.05 |
-8.72 |
-0.09 |
0 |
|
|
14437 |
411340 |
1 |
NO2C22H31 |
AB2C22D31 |
-73.63 |
4.02 |
-8.78 |
0.06 |
0 |
|
|
14438 |
411352 |
1 |
OCl2N3C16H21 |
AB2C3D16E21 |
-17.7 |
3.12 |
-8.31 |
-0.57 |
0 |
|
|
14439 |
411381 |
1 |
SN6C7H10 |
AB6C7D10 |
122.16 |
9.33 |
-9.7 |
-1.76 |
0 |
|
|
14440 |
411413 |
1 |
NOC18H20 |
ABC18D20 |
33.18 |
5.09 |
0.0 |
0.0 |
1 |
|
|
14441 |
411432 |
1 |
NOC21H23 |
ABC21D23 |
13.5 |
2.94 |
-8.45 |
-0.52 |
0 |
|
|
14442 |
411526 |
1 |
C4N5H7 |
A4B5C7 |
64.16 |
2.98 |
-8.88 |
-0.56 |
0 |
|
|
14443 |
411557 |
1 |
NOH16C21 |
ABC16D21 |
58.6 |
4.46 |
0.0 |
0.0 |
1 |
|
|
14444 |
411628 |
1 |
NO2C18H20 |
AB2C18D20 |
3.29 |
4.13 |
0.0 |
0.0 |
1 |
|
|
14445 |
411635 |
1 |
ClNC19H22 |
ABC19D22 |
21.2 |
0.93 |
-8.66 |
0.01 |
0 |
|
|
14446 |
411657 |
1 |
NO2C22H23 |
AB2C22D23 |
-8.77 |
4.39 |
-8.14 |
0.03 |
0 |
|
|
14447 |
411658 |
1 |
O9C22H24 |
A9B22C24 |
-315.27 |
5.47 |
-8.7 |
-0.63 |
0 |
|
|
14448 |
411660 |
1 |
N2C23H34 |
A2B23C34 |
-4.26 |
1.16 |
-7.98 |
0.13 |
0 |
|
|
14449 |
411677 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-88.37 |
5.54 |
-8.75 |
0.17 |
0 |
|
|
14450 |
411841 |
1 |
BrSO3C7H7 |
ABC3D7E7 |
-90.12 |
4.1 |
-9.93 |
-1.34 |
0 |
|
|
14451 |
411854 |
1 |
N3O3C16H35 |
A3B3C16D35 |
-106.37 |
6.11 |
-9.15 |
-0.3 |
0 |
|
|
14452 |
411933 |
1 |
NO3C21H27 |
AB3C21D27 |
-102.31 |
1.34 |
-8.79 |
0.05 |
0 |
|
|
14453 |
411950 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-107.82 |
2.61 |
-8.88 |
-0.05 |
0 |
|
|
14454 |
411984 |
1 |
NOSH10C11 |
ABCD10E11 |
32.57 |
1.44 |
0.0 |
0.0 |
1 |
|
|
14455 |
412005 |
2 |
NC8H14 |
AB8C14 |
-8.31 |
3.28 |
-7.87 |
0.81 |
0 |
|
|
14456 |
412006 |
2 |
NC8H14 |
AB8C14 |
-2.7 |
2.41 |
-7.76 |
0.71 |
0 |
|
|
14457 |
412007 |
1 |
NOBr2H16C17 |
ABC2D16E17 |
12.87 |
7.48 |
0.0 |
0.0 |
1 |
|
|
14458 |
412009 |
1 |
BrNOC17H18 |
ABCD17E18 |
-9.91 |
7.54 |
-8.16 |
-0.69 |
0 |
|
|
14459 |
412010 |
1 |
ClNOC17H18 |
ABCD17E18 |
-11.86 |
7.2 |
-8.53 |
-0.62 |
0 |
|
|
14460 |
412027 |
1 |
NSO4C10H17 |
ABC4D10E17 |
-192.69 |
0.88 |
-9.22 |
-0.31 |
0 |
|
|
14461 |
412116 |
1 |
ClNO2S2H16C24 |
ABC2D2E16F24 |
27.49 |
3.13 |
-8.7 |
-1.54 |
0 |
|
|
14462 |
412126 |
1 |
ON5C8H11 |
AB5C8D11 |
44.51 |
6.46 |
-9.54 |
-1.08 |
0 |
|
|
14463 |
412127 |
1 |
ON5C7H9 |
AB5C7D9 |
53.7 |
6.2 |
-9.6 |
-1.15 |
0 |
|
|
14464 |
412134 |
1 |
ON3H21C24 |
AB3C21D24 |
85.38 |
1.5 |
-7.89 |
-0.98 |
0 |
|
|
14465 |
412145 |
1 |
OH15C21 |
AB15C21 |
58.43 |
0.82 |
0.0 |
0.0 |
1 |
|
|
14466 |
412173 |
1 |
SC5H5N5 |
AB5C5D5 |
141.61 |
6.75 |
-9.79 |
-2.21 |
0 |
|
|
14467 |
412203 |
1 |
ON2C19H24 |
AB2C19D24 |
3.63 |
4.36 |
-8.0 |
0.4 |
0 |
|
|
14469 |
412220 |
1 |
ON2C21H44 |
AB2C21D44 |
-109.47 |
3.04 |
-9.16 |
1.05 |
0 |
|
|
14470 |
412314 |
1 |
SN2O4C7H16 |
AB2C4D7E16 |
-167.04 |
3.81 |
-9.06 |
-0.34 |
0 |
|
|
14471 |
412405 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-138.35 |
5.15 |
-9.09 |
-0.51 |
0 |
|
|
14472 |
412406 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-141.5 |
6.53 |
-9.09 |
-0.53 |
0 |
|
|
14473 |
412407 |
1 |
ClN2O3C13H19 |
AB2C3D13E19 |
-129.95 |
1.01 |
-8.71 |
-1.04 |
0 |
|
|
14474 |
412484 |
1 |
ClN2O2C11H15 |
AB2C2D11E15 |
-77.26 |
2.57 |
-9.01 |
-0.35 |
0 |
|
|
14475 |
412523 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-140.69 |
2.4 |
-9.18 |
-0.64 |
0 |
|
|
14476 |
412570 |
1 |
ClNO2C17H18 |
ABC2D17E18 |
-49.61 |
3.25 |
-9.12 |
-0.17 |
0 |
|
|
14477 |
412572 |
1 |
ClON2C18H25 |
ABC2D18E25 |
-4.22 |
0.66 |
-8.47 |
-0.48 |
0 |
|
|
14478 |
412584 |
2 |
N3C5H8 |
A3B5C8 |
111.45 |
9.36 |
-9.57 |
-1.67 |
0 |
|
|
14479 |
412744 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-120.81 |
2.69 |
-9.0 |
-0.6 |
0 |
|
|
14480 |
412757 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-76.97 |
4.73 |
-8.77 |
-0.23 |
0 |
|
|
14481 |
412761 |
1 |
ClN2O3C17H27 |
AB2C3D17E27 |
-136.73 |
1.6 |
-8.73 |
-0.65 |
0 |
|
|
14482 |
412773 |
1 |
NOC16H27 |
ABC16D27 |
-61.03 |
2.57 |
-9.0 |
0.36 |
0 |
|
|
14483 |
412798 |
1 |
ClNC9H18 |
ABC9D18 |
-35.45 |
3.02 |
-8.8 |
0.91 |
0 |
|
|
14484 |
412855 |
1 |
ON2C12H19 |
AB2C12D19 |
-32.52 |
4.85 |
0.0 |
0.0 |
1 |
|
|
14485 |
412917 |
2 |
N2C9H12 |
A2B9C12 |
46.5 |
2.32 |
-8.32 |
-0.58 |
0 |
|
|
14486 |
412954 |
1 |
PN2O2C10H21 |
AB2C2D10E21 |
-120.48 |
2.82 |
-9.71 |
1.02 |
0 |
|
|
14487 |
413038 |
1 |
SO2N3C5H11 |
AB2C3D5E11 |
-74.85 |
1.03 |
-9.48 |
-0.28 |
0 |
|
|
14488 |
413051 |
1 |
NOC10H19 |
ABC10D19 |
-62.96 |
2.51 |
-8.75 |
0.77 |
0 |
|
|
14489 |
413114 |
1 |
N2C13H20 |
A2B13C20 |
23.15 |
2.07 |
-8.61 |
0.42 |
0 |
|
|
14490 |
413163 |
1 |
S2N6O12H20C25 |
A2B6C12D20E25 |
-156.91 |
5.72 |
-8.45 |
-2.78 |
0 |
|
|
14491 |
413263 |
1 |
OCl2N5H7C10 |
AB2C5D7E10 |
89.8 |
6.96 |
-9.98 |
-1.79 |
0 |
|
|
14492 |
413264 |
1 |
ClON5H8C10 |
ABC5D8E10 |
92.8 |
6.85 |
-9.88 |
-1.62 |
0 |