List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
53027 |
14709418 |
1 |
OSN2H16C21 |
ABC2D16E21 |
84.23 |
7.22 |
-8.99 |
-1.34 |
0 |
|
|
53028 |
14709421 |
1 |
OSN4H14C19 |
ABC4D14E19 |
117.66 |
8.62 |
-8.82 |
-1.29 |
0 |
|
|
53029 |
14709422 |
1 |
SO2N4H14C19 |
AB2C4D14E19 |
86.36 |
8.53 |
-8.89 |
-1.31 |
0 |
|
|
53030 |
14709423 |
1 |
SO2N4H16C20 |
AB2C4D16E20 |
76.16 |
8.98 |
-8.74 |
-1.25 |
0 |
|
|
53031 |
14709428 |
1 |
NOC10H19 |
ABC10D19 |
-73.53 |
4.51 |
-9.29 |
1.11 |
0 |
|
|
53032 |
14709429 |
1 |
NOC11H21 |
ABC11D21 |
-86.08 |
4.27 |
-9.21 |
1.28 |
0 |
|
|
53033 |
14709432 |
1 |
NO2C16H29 |
AB2C16D29 |
-147.09 |
2.9 |
-9.37 |
0.94 |
0 |
|
|
53034 |
14709434 |
1 |
NO3C16H29 |
AB3C16D29 |
-185.45 |
1.97 |
-9.57 |
0.82 |
0 |
|
|
53035 |
14709436 |
1 |
NO3C17H31 |
AB3C17D31 |
-191.34 |
2.1 |
-9.6 |
0.84 |
0 |
|
|
53036 |
14709437 |
1 |
NO2C19H35 |
AB2C19D35 |
-161.7 |
2.84 |
-9.41 |
1.02 |
0 |
|
|
53037 |
14709441 |
1 |
BrPSH22C27 |
ABCD22E27 |
97.92 |
5.94 |
-8.5 |
-0.47 |
0 |
|
|
53038 |
14709445 |
1 |
OSH12C17 |
ABC12D17 |
26.98 |
1.99 |
-8.2 |
-0.8 |
0 |
|
|
53039 |
14709447 |
1 |
OSH12C17 |
ABC12D17 |
27.2 |
2.45 |
-8.18 |
-0.88 |
0 |
|
|
53040 |
14709449 |
1 |
OSH10C16 |
ABC10D16 |
21.8 |
1.83 |
-8.47 |
-0.88 |
0 |
|
|
53041 |
14709453 |
1 |
SO2H8C16 |
AB2C8D16 |
68.18 |
5.54 |
-8.83 |
-1.49 |
0 |
|
|
53042 |
14709455 |
1 |
SO2H12C16 |
AB2C12D16 |
28.49 |
1.8 |
-8.4 |
-1.01 |
0 |
|
|
53043 |
14709457 |
1 |
SN3H13C16 |
AB3C13D16 |
96.01 |
0.39 |
-8.62 |
-1.07 |
0 |
|
|
53044 |
14709460 |
1 |
SN3H11C15 |
AB3C11D15 |
106.08 |
1.42 |
-8.75 |
-1.16 |
0 |
|
|
53045 |
14709462 |
1 |
OSeC11H16 |
ABC11D16 |
-37.51 |
2.43 |
-8.49 |
-0.2 |
0 |
|
|
53046 |
14709463 |
1 |
OSeC15H16 |
ABC15D16 |
-6.7 |
1.92 |
-8.39 |
-0.48 |
0 |
|
|
53047 |
14709467 |
1 |
OSeC11H16 |
ABC11D16 |
-42.03 |
3.53 |
-8.42 |
-0.13 |
0 |
|
|
53048 |
14709470 |
1 |
ClNOH2C4 |
ABCD2E4 |
6.59 |
4.14 |
-11.66 |
-1.8 |
0 |
|
|
53049 |
14709471 |
1 |
NSiO2C7H11 |
ABC2D7E11 |
-94.41 |
0.85 |
-10.14 |
-1.13 |
0 |
|
|
53050 |
14709472 |
1 |
NSiO2C10H17 |
ABC2D10E17 |
-101.93 |
0.82 |
-9.49 |
-1.14 |
0 |
|
|
53051 |
14709473 |
1 |
ClNSiO2C7H10 |
ABCD2E7F10 |
-96.79 |
1.82 |
-9.71 |
-1.24 |
0 |
|
|
53052 |
14709475 |
1 |
NPO5C11H20 |
ABC5D11E20 |
-266.97 |
7.75 |
-10.65 |
0.24 |
0 |
|
|
53053 |
14709477 |
1 |
ClNOH4C5 |
ABCD4E5 |
-6.24 |
5.44 |
-11.45 |
-1.57 |
0 |
|
|
53054 |
14709481 |
2 |
C2H2F3 |
A2B2C3 |
-324.21 |
2.55 |
-13.03 |
1.07 |
0 |
|
|
53055 |
14709483 |
1 |
NO3C13H19 |
AB3C13D19 |
-92.13 |
4.49 |
-9.53 |
0.46 |
0 |
|
|
53056 |
14709485 |
1 |
ON2C13H14 |
AB2C13D14 |
34.79 |
1.65 |
-8.9 |
-0.1 |
0 |
|
|
53057 |
14709486 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-39.23 |
3.15 |
-8.73 |
-0.21 |
0 |
|
|
53058 |
14709488 |
1 |
N2O3C26H30 |
A2B3C26D30 |
-54.46 |
2.52 |
-8.8 |
-0.22 |
0 |
|
|
53059 |
14709490 |
2 |
NOC10H13 |
ABC10D13 |
-46.74 |
0.88 |
-8.68 |
-0.09 |
0 |
|
|
53060 |
14709491 |
2 |
NOC10H13 |
ABC10D13 |
-48.42 |
3.22 |
-8.77 |
-0.12 |
0 |
|
|
53061 |
14709493 |
1 |
SN2O4C20H26 |
AB2C4D20E26 |
-131.52 |
7.02 |
-9.19 |
-0.58 |
0 |
|
|
53062 |
14709494 |
1 |
ClN2O2C20H25 |
AB2C2D20E25 |
-54.8 |
3.83 |
-8.98 |
-0.3 |
0 |
|
|
53063 |
14709497 |
1 |
N2O2C23H26 |
A2B2C23D26 |
-20.81 |
3.63 |
-8.7 |
-0.67 |
0 |
|
|
53064 |
14709498 |
2 |
NO2C19H19 |
AB2C19D19 |
-36.35 |
4.11 |
-8.89 |
-0.21 |
0 |
|
|
53065 |
14709500 |
1 |
N2O3C27H32 |
A2B3C27D32 |
-58.62 |
5.21 |
-8.76 |
-0.19 |
0 |
|
|
53066 |
14709502 |
1 |
N2O3C31H32 |
A2B3C31D32 |
-21.84 |
4.42 |
-8.74 |
-0.21 |
0 |
|
|
53067 |
14709504 |
1 |
NO4C25H27 |
AB4C25D27 |
-71.43 |
2.03 |
-9.03 |
-0.14 |
0 |
|
|
53068 |
14709505 |
1 |
NO4C25H27 |
AB4C25D27 |
-72.8 |
1.73 |
-8.95 |
-0.23 |
0 |
|
|
53069 |
14709507 |
2 |
NO2C16H16 |
AB2C16D16 |
-61.2 |
4.2 |
-8.81 |
-0.64 |
0 |
|
|
53070 |
14709510 |
1 |
SN2O2H20C21 |
AB2C2D20E21 |
41.73 |
3.38 |
-8.6 |
-0.42 |
0 |
|
|
53071 |
14709513 |
1 |
SO2N3C9H13 |
AB2C3D9E13 |
2.99 |
4.22 |
-9.37 |
-0.7 |
0 |
|
|
53072 |
14709516 |
2 |
ON2C7H15 |
AB2C7D15 |
-66.19 |
1.31 |
-8.14 |
2.25 |
0 |
|
|
53073 |
14709517 |
1 |
O3N4C16H34 |
A3B4C16D34 |
-118.26 |
4.7 |
-8.38 |
1.93 |
0 |
|
|
53074 |
14709520 |
1 |
O3N4C22H38 |
A3B4C22D38 |
-93.72 |
2.59 |
-8.71 |
0.05 |
0 |
|
|
53075 |
14709522 |
2 |
ON2C10H17 |
AB2C10D17 |
-45.65 |
2.87 |
-8.44 |
0.44 |
0 |
|
|
53076 |
14709524 |
2 |
N2O2C12H21 |
A2B2C12D21 |
-141.18 |
3.04 |
-8.68 |
0.25 |
0 |
|
|
53077 |
14709526 |
1 |
O3N5C18H39 |
A3B5C18D39 |
-118.38 |
3.99 |
-8.79 |
1.77 |
0 |
|
|
53078 |
14709527 |
1 |
O4N5C20H43 |
A4B5C20D43 |
-164.19 |
6.51 |
-8.45 |
1.66 |
0 |
|
|
53079 |
14709529 |
2 |
OC6H9 |
AB6C9 |
-76.21 |
2.89 |
-9.83 |
-0.51 |
0 |
|
|
53080 |
14709530 |
2 |
OH9C10 |
AB9C10 |
-3.22 |
2.7 |
-9.36 |
-0.46 |
0 |
|
|
53081 |
14709531 |
1 |
OSC10H14 |
ABC10D14 |
-30.61 |
2.88 |
-9.34 |
-0.82 |
0 |
|
|
53082 |
14709533 |
1 |
OSH18C20 |
ABC18D20 |
32.34 |
2.73 |
-9.3 |
-0.9 |
0 |
|
|
53083 |
14709535 |
1 |
O2C9H12 |
A2B9C12 |
-45.23 |
1.27 |
-9.01 |
0.0 |
0 |
|
|
53084 |
14709537 |
1 |
OSC9H12 |
ABC9D12 |
-10.74 |
1.2 |
-9.04 |
-0.45 |
0 |
|
|
53085 |
14709539 |
2 |
OC6H9 |
AB6C9 |
-61.52 |
1.83 |
-8.79 |
0.06 |
0 |
|
|
53086 |
14709541 |
1 |
OSC12H18 |
ABC12D18 |
-25.32 |
1.67 |
-8.87 |
-0.39 |
0 |
|
|
53087 |
14709542 |
1 |
O2C9H12 |
A2B9C12 |
-48.62 |
1.01 |
-8.8 |
0.36 |
0 |
|
|
53088 |
14709544 |
1 |
O3C13H16 |
A3B13C16 |
-101.55 |
1.85 |
-8.89 |
-0.23 |
0 |
|
|
53089 |
14709545 |
1 |
O2H10C11 |
A2B10C11 |
-43.99 |
4.47 |
-9.37 |
-0.53 |
0 |
|
|
53090 |
14709546 |
1 |
O3H16C17 |
A3B16C17 |
-60.28 |
2.56 |
-8.9 |
-0.79 |
0 |
|
|
53091 |
14709547 |
2 |
OH6C8 |
AB6C8 |
-10.59 |
4.35 |
-9.4 |
-0.61 |
0 |
|
|
53092 |
14709548 |
1 |
O5C10H16 |
A5B10C16 |
-223.61 |
2.09 |
-10.74 |
-0.33 |
0 |
|
|
53093 |
14709549 |
1 |
O5C14H16 |
A5B14C16 |
-178.87 |
1.89 |
-9.8 |
-0.57 |
0 |
|
|
53094 |
14709550 |
1 |
O5C13H24 |
A5B13C24 |
-236.63 |
1.2 |
-10.04 |
0.13 |
0 |
|
|
53095 |
14709556 |
3 |
O2C5H8 |
A2B5C8 |
-285.96 |
3.09 |
-10.28 |
-0.23 |
0 |
|
|
53096 |
14709559 |
1 |
F3O3C11H13 |
A3B3C11D13 |
-270.65 |
2.71 |
-9.65 |
-0.21 |
0 |
|
|
53097 |
14709568 |
1 |
IC27H47 |
AB27C47 |
-84.89 |
2.96 |
-9.56 |
-0.58 |
0 |
|
|
53098 |
14709569 |
1 |
IC27H47 |
AB27C47 |
-77.04 |
2.4 |
-9.39 |
-0.56 |
0 |
|
|
53099 |
14709570 |
2 |
OSC4H7 |
ABC4D7 |
-82.51 |
3.37 |
-8.85 |
-1.04 |
0 |
|
|
53100 |
14709572 |
2 |
SO2C5H8 |
AB2C5D8 |
-161.34 |
3.76 |
-8.99 |
-1.19 |
0 |
|
|
53101 |
14709574 |
1 |
OS2C7H12 |
AB2C7D12 |
-22.52 |
2.97 |
-8.65 |
-0.86 |
0 |
|
|
53102 |
14709578 |
2 |
SC4H6 |
AB4C6 |
12.56 |
2.16 |
-8.41 |
-0.4 |
0 |
|
|
53103 |
14709579 |
1 |
NO3H19C24 |
AB3C19D24 |
-31.65 |
5.67 |
-8.64 |
-0.36 |
0 |
|
|
53104 |
14709581 |
1 |
NO2H21C24 |
AB2C21D24 |
-1.28 |
5.01 |
-8.39 |
-0.08 |
0 |
|
|
53105 |
14709584 |
1 |
NOC25H25 |
ABC25D25 |
45.23 |
1.39 |
-8.39 |
0.25 |
0 |
|
|
53106 |
14709585 |
1 |
NOC25H25 |
ABC25D25 |
44.33 |
2.49 |
-8.12 |
0.2 |
0 |
|
|
53107 |
14709586 |
1 |
NH25C26 |
AB25C26 |
107.58 |
1.59 |
-8.19 |
0.25 |
0 |
|
|
53108 |
14709593 |
1 |
NOH23C25 |
ABC23D25 |
65.82 |
2.29 |
-8.42 |
0.09 |
0 |
|
|
53109 |
14709594 |
1 |
NOH23C25 |
ABC23D25 |
63.35 |
3.23 |
-8.28 |
0.02 |
0 |
|
|
53110 |
14709598 |
1 |
AgNSO7C25H34 |
ABCD7E25F34 |
-334.02 |
18.61 |
-8.97 |
-3.86 |
0 |
|
|
53111 |
14709599 |
1 |
OSCl2N3H7C9 |
ABC2D3E7F9 |
24.07 |
4.46 |
-9.27 |
-1.0 |
0 |
|
|
53112 |
14709601 |
1 |
SCl2N3O3H11C16 |
AB2C3D3E11F16 |
-32.98 |
4.59 |
-9.17 |
-1.49 |
0 |
|
|
53113 |
14709602 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-28.7 |
3.2 |
-8.97 |
-1.25 |
0 |
|
|
53114 |
14709603 |
1 |
SO2N3H15C18 |
AB2C3D15E18 |
15.36 |
2.83 |
-8.89 |
-1.16 |
0 |
|
|
53115 |
14709605 |
1 |
SO2N3H13C17 |
AB2C3D13E17 |
25.98 |
1.91 |
-9.04 |
-1.23 |
0 |
|
|
53116 |
14709606 |
2 |
ClOSN2H5C6 |
ABCD2E5F6 |
-7.24 |
5.93 |
-9.01 |
-1.53 |
0 |
|
|
53117 |
14709614 |
1 |
O2S2Cl3N4H11C18 |
A2B2C3D4E11F18 |
64.96 |
6.34 |
-8.92 |
-1.98 |
0 |
|
|
53118 |
14709616 |
1 |
NSCl2O2H5C9 |
ABC2D2E5F9 |
-20.18 |
2.91 |
-9.45 |
-1.51 |
0 |
|
|
53119 |
14709617 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-55.59 |
3.74 |
-9.5 |
-0.39 |
0 |
|
|
53120 |
14709618 |
1 |
NCl2O2H15C16 |
AB2C2D15E16 |
-66.4 |
2.42 |
-9.45 |
-0.55 |
0 |
|
|
53121 |
14709620 |
1 |
NOCl2H13C16 |
ABC2D13E16 |
-13.02 |
3.08 |
-9.4 |
-0.26 |
0 |
|
|
53122 |
14709623 |
1 |
ClN3H16C18 |
AB3C16D18 |
76.25 |
7.37 |
-9.6 |
-0.41 |
0 |
|
|
53123 |
14709624 |
1 |
NOC9H17 |
ABC9D17 |
-20.04 |
1.61 |
-9.16 |
1.24 |
0 |
|
|
53124 |
14709625 |
1 |
NO2C12H21 |
AB2C12D21 |
-74.85 |
2.87 |
-9.55 |
1.0 |
0 |
|
|
53125 |
14709626 |
1 |
NO2C16H21 |
AB2C16D21 |
-32.01 |
5.95 |
-9.24 |
-0.24 |
0 |
|
|
53126 |
14709627 |
1 |
NO2C12H23 |
AB2C12D23 |
-99.17 |
3.38 |
-9.27 |
1.28 |
0 |