List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
82016 |
49855480 |
2 |
FNOC14H15 |
ABCD14E15 |
-73.96 |
3.41 |
-9.17 |
-0.91 |
0 |
|
|
82017 |
49855483 |
1 |
N7H19C24 |
A7B19C24 |
199.76 |
4.65 |
-9.52 |
-1.49 |
0 |
|
|
82018 |
49855485 |
1 |
ClON6H15C18 |
ABC6D15E18 |
65.68 |
4.15 |
-9.38 |
-1.5 |
0 |
|
|
82019 |
49855486 |
1 |
ClON5C18H18 |
ABC5D18E18 |
27.85 |
5.25 |
-9.24 |
-1.47 |
0 |
|
|
82020 |
49855490 |
1 |
SN3O3C27H27 |
AB3C3D27E27 |
-23.83 |
5.91 |
-9.05 |
-0.37 |
0 |
|
|
82021 |
49855494 |
1 |
ON5H19C21 |
AB5C19D21 |
99.83 |
6.69 |
-8.78 |
-0.69 |
0 |
|
|
82022 |
49855495 |
1 |
ON4H20C22 |
AB4C20D22 |
88.61 |
5.72 |
-8.75 |
-0.28 |
0 |
|
|
82023 |
49855497 |
1 |
SN3O5C26H27 |
AB3C5D26E27 |
-110.25 |
4.94 |
-9.26 |
-1.43 |
0 |
|
|
82024 |
49855498 |
1 |
SN4O5C28H30 |
AB4C5D28E30 |
-97.39 |
4.48 |
-9.21 |
-1.36 |
0 |
|
|
82025 |
49855499 |
1 |
S2N3O6C28H29 |
A2B3C6D28E29 |
-147.36 |
14.2 |
-9.16 |
-1.56 |
0 |
|
|
82026 |
49855500 |
1 |
S2N3O7H27C31 |
A2B3C7D27E31 |
-76.01 |
8.4 |
-9.52 |
-1.77 |
0 |
|
|
82027 |
49855501 |
1 |
SN3O4C26H27 |
AB3C4D26E27 |
-53.19 |
3.58 |
-9.26 |
-1.19 |
0 |
|
|
82028 |
49855502 |
1 |
FOSN4C26H29 |
ABCD4E26F29 |
-23.68 |
4.59 |
-8.33 |
-0.98 |
0 |
|
|
82029 |
49855503 |
1 |
ClOSN4C25H27 |
ABCD4E25F27 |
24.29 |
5.6 |
-8.49 |
-1.04 |
0 |
|
|
82030 |
49855504 |
1 |
ClFOSN4C25H26 |
ABCDE4F25G26 |
-24.25 |
4.53 |
-8.31 |
-1.2 |
0 |
|
|
82031 |
49855505 |
1 |
ON6C25H30 |
AB6C25D30 |
57.03 |
6.09 |
-8.48 |
-0.8 |
0 |
|
|
82032 |
49855507 |
1 |
ClON6C24H27 |
ABC6D24E27 |
57.02 |
2.74 |
-8.6 |
-0.77 |
0 |
|
|
82033 |
49855508 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-115.86 |
7.9 |
-8.78 |
-0.33 |
0 |
|
|
82034 |
49855509 |
1 |
F3N3O3C22H30 |
A3B3C3D22E30 |
-258.53 |
7.72 |
-8.75 |
-0.58 |
0 |
|
|
82035 |
49855510 |
1 |
FN2O3C20H29 |
AB2C3D20E29 |
-155.29 |
6.37 |
-8.74 |
-0.45 |
0 |
|
|
82036 |
49855511 |
1 |
SN3O4C21H33 |
AB3C4D21E33 |
-151.63 |
1.86 |
-8.82 |
-0.38 |
0 |
|
|
82037 |
49855512 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-145.24 |
8.66 |
-8.96 |
-0.3 |
0 |
|
|
82038 |
49855513 |
1 |
N3O3C27H35 |
A3B3C27D35 |
-78.8 |
8.22 |
-8.72 |
-0.28 |
0 |
|
|
82039 |
49855514 |
1 |
O2N7C15H17 |
A2B7C15D17 |
30.08 |
6.26 |
-8.81 |
-1.62 |
0 |
|
|
82040 |
49855515 |
1 |
FON7C15H16 |
ABC7D15E16 |
33.89 |
7.77 |
-8.49 |
-1.46 |
0 |
|
|
82041 |
49855516 |
1 |
ON7C15H17 |
AB7C15D17 |
80.05 |
6.63 |
-8.48 |
-1.35 |
0 |
|
|
82042 |
49855517 |
1 |
ON8C16H16 |
AB8C16D16 |
113.47 |
6.48 |
-8.7 |
-1.28 |
0 |
|
|
82043 |
49855518 |
1 |
ON7C17H21 |
AB7C17D21 |
65.63 |
9.58 |
-8.25 |
-1.43 |
0 |
|
|
82044 |
49855519 |
4 |
ON2C6H6 |
AB2C6D6 |
19.23 |
10.14 |
-8.63 |
-1.44 |
0 |
|
|
82045 |
49855520 |
3 |
NOF2H5C8 |
ABC2D5E8 |
-321.77 |
2.71 |
-9.61 |
-1.72 |
0 |
|
|
82046 |
49855521 |
3 |
NOC9H9 |
ABC9D9 |
-10.97 |
0.74 |
-9.28 |
-0.98 |
0 |
|
|
82047 |
49855522 |
1 |
F3N3O4H20C25 |
A3B3C4D20E25 |
-188.78 |
6.28 |
-9.47 |
-1.11 |
0 |
|
|
82048 |
49855523 |
1 |
SF3N4O4H15C21 |
AB3C4D4E15F21 |
-191.04 |
11.02 |
-9.03 |
-2.25 |
0 |
|
|
82049 |
49855524 |
2 |
N2O2C13H13 |
A2B2C13D13 |
-53.32 |
5.84 |
-9.12 |
-1.06 |
0 |
|
|
82050 |
49855527 |
1 |
FSN3O3H28C36 |
ABC3D3E28F36 |
-27.36 |
7.31 |
-9.02 |
-1.02 |
0 |
|
|
82051 |
49855528 |
1 |
SN3O3H31C33 |
AB3C3D31E33 |
-20.87 |
3.12 |
-9.02 |
-1.03 |
0 |
|
|
82052 |
49855529 |
1 |
SF2O3N5H27C32 |
AB2C3D5E27F32 |
-80.82 |
8.93 |
-9.12 |
-1.07 |
0 |
|
|
82053 |
49855530 |
1 |
OF2N5C25H27 |
AB2C5D25E27 |
-53.71 |
2.84 |
-8.79 |
-0.38 |
0 |
|
|
82054 |
49855531 |
1 |
F2O2N4C23H24 |
A2B2C4D23E24 |
-110.22 |
2.68 |
-9.03 |
-0.44 |
0 |
|
|
82055 |
49855532 |
1 |
ClF2O2N4C23H23 |
AB2C2D4E23F23 |
-119.91 |
4.36 |
-8.85 |
-0.48 |
0 |
|
|
82056 |
49855533 |
1 |
ClOF3N5H21C26 |
ABC3D5E21F26 |
-78.44 |
2.68 |
-8.95 |
-0.63 |
0 |
|
|
82057 |
49855536 |
2 |
NO2C8H11 |
AB2C8D11 |
-170.84 |
2.24 |
-9.82 |
0.16 |
0 |
|
|
82058 |
49855537 |
2 |
NO4C11H14 |
AB4C11D14 |
-319.85 |
1.85 |
-9.99 |
-1.08 |
0 |
|
|
82059 |
49855542 |
1 |
BrO2H15C16 |
AB2C15D16 |
-24.35 |
1.46 |
-8.97 |
-0.32 |
0 |
|
|
82060 |
49855543 |
1 |
NO2C24H31 |
AB2C24D31 |
-33.41 |
2.55 |
-9.27 |
0.27 |
0 |
|
|
82061 |
49855544 |
1 |
NO2C24H33 |
AB2C24D33 |
-59.27 |
2.19 |
-8.93 |
0.22 |
0 |
|
|
82062 |
49855545 |
1 |
NO3C20H31 |
AB3C20D31 |
-158.0 |
2.61 |
-9.22 |
0.48 |
0 |
|
|
82063 |
49855548 |
1 |
SiF2O4C16H24 |
AB2C4D16E24 |
-271.44 |
2.31 |
-10.06 |
0.26 |
0 |
|
|
82064 |
49855549 |
1 |
Si3O10C63H100 |
A3B10C63D100 |
-583.69 |
5.73 |
-8.38 |
0.29 |
0 |
|
|
82065 |
49855550 |
1 |
Si3O10C61H96 |
A3B10C61D96 |
-589.89 |
4.8 |
-8.77 |
0.18 |
0 |
|
|
82066 |
49855551 |
1 |
Si2O10C45H76 |
A2B10C45D76 |
-566.19 |
2.42 |
-8.68 |
0.28 |
0 |
|
|
82067 |
49855553 |
1 |
N4C17H24 |
A4B17C24 |
50.17 |
3.39 |
-8.38 |
-0.18 |
0 |
|
|
82068 |
49855554 |
1 |
N4C17H24 |
A4B17C24 |
46.19 |
4.65 |
-8.22 |
0.02 |
0 |
|
|
82069 |
49855555 |
1 |
SO2N4C23H28 |
AB2C4D23E28 |
-2.84 |
6.64 |
-8.25 |
-0.58 |
0 |
|
|
82070 |
49855557 |
2 |
ON3C9H13 |
AB3C9D13 |
-39.97 |
4.33 |
-8.41 |
-0.16 |
0 |
|
|
82071 |
49855559 |
2 |
N2C7H9 |
A2B7C9 |
41.73 |
3.85 |
-8.34 |
-0.07 |
0 |
|
|
82072 |
49855560 |
1 |
SO4N5H33C35 |
AB4C5D33E35 |
-39.46 |
2.86 |
-8.6 |
-1.0 |
0 |
|
|
82073 |
49855562 |
1 |
SO4N6C34H38 |
AB4C6D34E38 |
-73.27 |
4.13 |
-8.49 |
-0.91 |
0 |
|
|
82074 |
49855564 |
2 |
ON2H6C8 |
AB2C6D8 |
61.75 |
7.4 |
-8.56 |
-1.39 |
0 |
|
|
82075 |
49855565 |
1 |
N4O4H12C15 |
A4B4C12D15 |
24.97 |
7.27 |
-8.8 |
-1.88 |
0 |
|
|
82076 |
49855566 |
1 |
N3O3H15C16 |
A3B3C15D16 |
-12.99 |
4.39 |
-8.32 |
-0.68 |
0 |
|
|
82077 |
49855568 |
1 |
ClFN4O4H20C28 |
ABC4D4E20F28 |
-27.68 |
4.0 |
-8.9 |
-1.44 |
0 |
|
|
82078 |
49855569 |
1 |
ClFSO3N4H20C28 |
ABCD3E4F20G28 |
8.8 |
2.02 |
-8.78 |
-1.63 |
0 |
|
|
82079 |
49855570 |
1 |
NSiO7C38H45 |
ABC7D38E45 |
-227.05 |
4.92 |
-8.34 |
-0.2 |
0 |
|
|
82080 |
49855572 |
2 |
NO4H15C16 |
AB4C15D16 |
-122.16 |
8.76 |
-8.35 |
-1.39 |
0 |
|
|
82081 |
49855573 |
1 |
NO5C25H25 |
AB5C25D25 |
-106.18 |
6.42 |
-8.24 |
-0.15 |
0 |
|
|
82082 |
49855574 |
1 |
NO5C25H25 |
AB5C25D25 |
-105.0 |
2.75 |
-8.2 |
-0.25 |
0 |
|
|
82083 |
49855575 |
1 |
BClN2O4C25H32 |
ABC2D4E25F32 |
-254.35 |
2.2 |
-9.35 |
-0.48 |
0 |
|
|
82084 |
49855577 |
1 |
BN2O5C26H35 |
AB2C5D26E35 |
-282.18 |
4.72 |
-9.04 |
-0.2 |
0 |
|
|
82085 |
49855579 |
1 |
BFN2O4C16H24 |
ABC2D4E16F24 |
-304.16 |
1.51 |
-9.59 |
-0.29 |
0 |
|
|
82086 |
49855581 |
1 |
BClN2O4C31H40 |
ABC2D4E31F40 |
-229.95 |
9.26 |
-9.32 |
-0.27 |
0 |
|
|
82087 |
49855582 |
1 |
BClN2O4C31H40 |
ABC2D4E31F40 |
-231.97 |
6.42 |
-9.66 |
-0.3 |
0 |
|
|
82088 |
49855583 |
1 |
BN2O5C32H43 |
AB2C5D32E43 |
-260.88 |
8.32 |
-8.95 |
0.01 |
0 |
|
|
82089 |
49855584 |
1 |
BN2O5C32H43 |
AB2C5D32E43 |
-263.26 |
8.62 |
-9.04 |
0.01 |
0 |
|
|
82090 |
49855585 |
2 |
O5H16C20 |
A5B16C20 |
-277.73 |
3.98 |
-9.1 |
-0.9 |
0 |
|
|
82091 |
49855586 |
2 |
O5H18C21 |
A5B18C21 |
-280.72 |
4.68 |
-8.93 |
-0.9 |
0 |
|
|
82092 |
49855587 |
1 |
O10H38C43 |
A10B38C43 |
-294.01 |
6.66 |
-8.94 |
-0.72 |
0 |
|
|
82093 |
49855588 |
1 |
O2N5C22H23 |
A2B5C22D23 |
56.02 |
6.47 |
-9.01 |
-0.84 |
0 |
|
|
82094 |
49855590 |
1 |
N2O2S2C9H12 |
A2B2C2D9E12 |
-17.14 |
4.23 |
-9.3 |
-1.08 |
0 |
|
|
82095 |
49855591 |
1 |
SN4O4H18C20 |
AB4C4D18E20 |
-48.56 |
4.27 |
-9.51 |
-1.3 |
0 |
|
|
82096 |
49855593 |
1 |
SO4N5H19C20 |
AB4C5D19E20 |
-13.12 |
5.41 |
-9.37 |
-1.3 |
0 |
|
|
82097 |
49855594 |
1 |
S2O4N5C14H15 |
A2B4C5D14E15 |
-23.13 |
7.77 |
-9.23 |
-1.27 |
0 |
|
|
82098 |
49855598 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-98.82 |
4.49 |
-8.42 |
-0.3 |
0 |
|
|
82099 |
49855599 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-103.88 |
2.53 |
-8.73 |
-0.31 |
0 |
|
|
82100 |
49855600 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-79.72 |
4.62 |
-8.67 |
-0.32 |
0 |
|
|
82101 |
49855601 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-45.56 |
3.65 |
-9.33 |
-1.43 |
0 |
|
|
82102 |
49855606 |
1 |
N2O2H10C13 |
A2B2C10D13 |
0.24 |
6.36 |
-9.1 |
-1.17 |
0 |
|
|
82103 |
49855607 |
2 |
NOC9H9 |
ABC9D9 |
-5.01 |
4.45 |
-9.14 |
-0.7 |
0 |
|
|
82104 |
49855608 |
1 |
ClO2N5C28H28 |
AB2C5D28E28 |
4.87 |
7.56 |
-8.41 |
-1.24 |
0 |
|
|
82105 |
49855609 |
1 |
ClO2N5H26C27 |
AB2C5D26E27 |
21.98 |
7.61 |
-8.51 |
-1.22 |
0 |
|
|
82106 |
49855611 |
1 |
ClO2N5H24C27 |
AB2C5D24E27 |
58.89 |
6.47 |
-8.54 |
-1.3 |
0 |
|
|
82107 |
49855616 |
1 |
PO4N5C14H18 |
AB4C5D14E18 |
-126.52 |
3.51 |
-8.84 |
-0.26 |
0 |
|
|
82108 |
49855617 |
1 |
PN5O6C18H28 |
AB5C6D18E28 |
-252.28 |
3.81 |
-9.17 |
-0.62 |
0 |
|
|
82109 |
49855618 |
1 |
SN5O9C39H47 |
AB5C9D39E47 |
-291.51 |
11.88 |
-9.29 |
-1.18 |
0 |
|
|
82110 |
49855619 |
1 |
SN5O9C39H47 |
AB5C9D39E47 |
-298.94 |
11.36 |
-9.2 |
-1.23 |
0 |
|
|
82111 |
49855620 |
1 |
SF2N5O9C38H43 |
AB2C5D9E38F43 |
-385.32 |
10.71 |
-9.29 |
-0.94 |
0 |
|
|
82115 |
49855636 |
1 |
N3O3H17C19 |
A3B3C17D19 |
-25.85 |
2.52 |
-8.91 |
-0.79 |
0 |
|
|
82116 |
49855637 |
1 |
ClN2O3C21H21 |
AB2C3D21E21 |
-53.72 |
4.92 |
-9.47 |
-0.72 |
0 |
|
|
82117 |
49855638 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-72.18 |
1.94 |
-9.68 |
-0.76 |
0 |
|
|
82118 |
49855639 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-64.53 |
4.21 |
-9.66 |
-0.73 |
0 |