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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
151689 |
56261138 |
1 |
O2N4H24C25 |
A2B4C24D25 |
-1.32 |
2.93 |
-8.98 |
-0.5 |
0 |
|
|
151690 |
56261143 |
1 |
FN2O4C19H21 |
AB2C4D19E21 |
-176.42 |
3.66 |
-8.84 |
-0.34 |
0 |
|
|
151691 |
56261152 |
1 |
SO2N5C19H19 |
AB2C5D19E19 |
8.55 |
7.78 |
-9.57 |
-1.7 |
0 |
|
|
151692 |
56261155 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-128.23 |
10.47 |
-9.29 |
-1.12 |
0 |
|
|
151693 |
56269466 |
1 |
O2N4C25H34 |
A2B4C25D34 |
-52.87 |
4.72 |
-8.64 |
-0.35 |
0 |
|
|
151694 |
56269483 |
1 |
FO3N4C19H21 |
AB3C4D19E21 |
-103.69 |
5.57 |
-8.55 |
-1.13 |
0 |
|
|
151695 |
56269517 |
1 |
Cl2O2F3N5C20H24 |
A2B2C3D5E20F24 |
-184.32 |
10.86 |
-8.92 |
-1.2 |
0 |
|
|
151696 |
56269518 |
1 |
ClSN4O4C18H23 |
ABC4D4E18F23 |
-93.38 |
6.07 |
-8.53 |
-0.74 |
0 |
|
|
151697 |
56269522 |
1 |
ClN4O4C23H23 |
AB4C4D23E23 |
-93.86 |
5.47 |
-8.95 |
-1.04 |
0 |
|
|
151698 |
56269573 |
1 |
OS2N5H17C18 |
AB2C5D17E18 |
78.26 |
6.2 |
-8.7 |
-1.29 |
0 |
|
|
151699 |
56269575 |
1 |
O2F4N5C20H23 |
A2B4C5D20E23 |
-228.44 |
5.24 |
-9.5 |
-1.54 |
0 |
|
|
151700 |
56269605 |
1 |
ClO2N4H19C21 |
AB2C4D19E21 |
-9.42 |
4.77 |
-9.04 |
-0.58 |
0 |
|
|
151701 |
56269607 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-89.81 |
6.64 |
-8.05 |
-0.49 |
0 |
|
|
151702 |
56269631 |
1 |
O2Cl3N3H18C20 |
A2B3C3D18E20 |
-1.89 |
6.0 |
-9.53 |
-0.7 |
0 |
|
|
151703 |
56269661 |
1 |
O2N4H22C25 |
A2B4C22D25 |
33.74 |
3.11 |
-8.85 |
-1.15 |
0 |
|
|
151704 |
56269672 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
17.89 |
5.51 |
-7.85 |
-0.89 |
0 |
|
|
151705 |
56269724 |
1 |
Cl2N3O3C22H23 |
A2B3C3D22E23 |
-76.64 |
1.47 |
-8.96 |
-0.99 |
0 |
|
|
151706 |
56269727 |
1 |
S2O3N4C17H18 |
A2B3C4D17E18 |
-29.7 |
6.99 |
-8.79 |
-1.33 |
0 |
|
|
151707 |
56269729 |
1 |
ClN3O5C23H26 |
AB3C5D23E26 |
-108.79 |
7.07 |
-9.65 |
-1.69 |
0 |
|
|
151708 |
56269733 |
1 |
SO2N5H23C26 |
AB2C5D23E26 |
43.2 |
4.78 |
-8.76 |
-0.98 |
0 |
|
|
151709 |
56269764 |
1 |
S2O3N4C22H26 |
A2B3C4D22E26 |
-47.18 |
5.79 |
-8.76 |
-0.64 |
0 |
|
|
151710 |
56269784 |
1 |
O2N4C27H28 |
A2B4C27D28 |
-6.37 |
4.73 |
-8.29 |
-1.28 |
0 |
|
|
151711 |
56269892 |
1 |
FN3O6C22H26 |
AB3C6D22E26 |
-254.62 |
4.62 |
-9.11 |
-0.25 |
0 |
|
|
151712 |
56269893 |
1 |
F2N3O3C23H29 |
A2B3C3D23E29 |
-234.93 |
2.21 |
-8.74 |
-0.89 |
0 |
|
|
151713 |
56269912 |
1 |
ClFON5C21H23 |
ABCD5E21F23 |
6.31 |
5.58 |
-8.77 |
-1.02 |
0 |
|
|
151714 |
56269940 |
1 |
OSF3N3C20H20 |
ABC3D3E20F20 |
-143.99 |
2.85 |
-8.53 |
-0.47 |
0 |
|
|
151715 |
56269942 |
1 |
ClOSN3C21H22 |
ABCD3E21F22 |
35.27 |
5.91 |
-9.0 |
-1.26 |
0 |
|
|
151716 |
56269943 |
1 |
ClFSN3O3C23H29 |
ABCD3E3F23G29 |
-139.91 |
4.13 |
-8.86 |
-0.73 |
0 |
|
|
151717 |
56269944 |
1 |
ClFO2N4C22H22 |
ABC2D4E22F22 |
-40.32 |
5.21 |
-9.16 |
-1.06 |
0 |
|
|
151718 |
56269945 |
1 |
ClO2N3C23H28 |
AB2C3D23E28 |
-37.96 |
6.56 |
-8.83 |
-0.28 |
0 |
|
|
151719 |
56269946 |
1 |
N4O5C27H30 |
A4B5C27D30 |
-163.03 |
4.7 |
-8.85 |
-1.15 |
0 |
|
|
151720 |
56269947 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-88.79 |
4.97 |
-8.75 |
-1.06 |
0 |
|
|
151721 |
56269948 |
1 |
O2N3C25H25 |
A2B3C25D25 |
-15.68 |
9.88 |
-8.39 |
-0.38 |
0 |
|
|
151722 |
56269949 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-104.59 |
5.65 |
-8.55 |
-0.61 |
0 |
|
|
151723 |
56269950 |
1 |
SO2N4C23H28 |
AB2C4D23E28 |
-0.84 |
2.29 |
-8.62 |
-0.75 |
0 |
|
|
151724 |
56269952 |
1 |
BrSN2O3C22H25 |
ABC2D3E22F25 |
-63.89 |
3.52 |
-9.53 |
-0.61 |
0 |
|
|
151725 |
56269955 |
1 |
NO7C24H29 |
AB7C24D29 |
-255.34 |
2.65 |
-8.78 |
-0.27 |
0 |
|
|
151726 |
56269959 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-103.64 |
5.59 |
-8.3 |
0.19 |
0 |
|
|
151727 |
56269960 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-58.88 |
7.95 |
-8.04 |
0.03 |
0 |
|
|
151728 |
56269962 |
2 |
NOC9H13 |
ABC9D13 |
-81.77 |
4.59 |
-7.96 |
0.11 |
0 |
|
|
151729 |
56269963 |
1 |
SO2N3C23H27 |
AB2C3D23E27 |
-43.76 |
2.77 |
-7.91 |
-0.44 |
0 |
|
|
151730 |
56269964 |
1 |
O2N5C22H27 |
A2B5C22D27 |
2.2 |
5.38 |
-8.4 |
-0.04 |
0 |
|
|
151731 |
56269965 |
1 |
SN3O3C23H29 |
AB3C3D23E29 |
-44.07 |
5.12 |
-8.38 |
-1.12 |
0 |
|
|
151732 |
56269966 |
1 |
O2N7H15C18 |
A2B7C15D18 |
52.0 |
3.66 |
-8.89 |
-1.2 |
0 |
|
|
151733 |
56269968 |
1 |
Cl2O2N6C23H24 |
A2B2C6D23E24 |
6.12 |
7.44 |
-8.05 |
-1.29 |
0 |
|
|
151734 |
56310340 |
1 |
NSO2C22H27 |
ABC2D22E27 |
-53.85 |
3.17 |
-8.67 |
-0.26 |
0 |
|
|
151735 |
56310352 |
1 |
BrF2N2O2C20H21 |
AB2C2D2E20F21 |
-146.67 |
6.54 |
-9.36 |
-0.42 |
0 |
|
|
151736 |
56310360 |
1 |
ClFO2N4C21H24 |
ABC2D4E21F24 |
-82.65 |
4.87 |
-8.3 |
-0.72 |
0 |
|
|
151737 |
56310361 |
1 |
ClSO2N7C19H24 |
ABC2D7E19F24 |
27.71 |
4.85 |
-8.66 |
-0.94 |
0 |
|
|
151738 |
56310362 |
1 |
ClN4O4C23H27 |
AB4C4D23E27 |
-112.93 |
5.61 |
-8.42 |
-0.46 |
0 |
|
|
151739 |
56310368 |
1 |
ClO2N7C21H24 |
AB2C7D21E24 |
0.09 |
8.44 |
-8.33 |
-1.17 |
0 |
|
|
151740 |
56310370 |
1 |
ClSN4O5C22H25 |
ABC4D5E22F25 |
-86.75 |
9.3 |
-8.41 |
-1.29 |
0 |
|
|
151741 |
56310394 |
1 |
ClN3O4C24H28 |
AB3C4D24E28 |
-127.99 |
2.41 |
-8.72 |
-0.23 |
0 |
|
|
151742 |
56310399 |
1 |
SF2N2O3C24H24 |
AB2C2D3E24F24 |
-163.64 |
5.36 |
-8.96 |
-1.1 |
0 |
|
|
151743 |
56310402 |
1 |
SN2O3C21H28 |
AB2C3D21E28 |
-110.0 |
6.57 |
-9.42 |
-0.36 |
0 |
|
|
151744 |
56310420 |
1 |
N3O5C26H31 |
A3B5C26D31 |
-162.7 |
5.95 |
-8.72 |
-0.86 |
0 |
|
|
151745 |
56310428 |
2 |
N2O2C11H16 |
A2B2C11D16 |
-167.14 |
4.25 |
-8.59 |
-0.34 |
0 |
|
|
151746 |
56310430 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-122.94 |
3.8 |
-8.57 |
-0.32 |
0 |
|
|
151747 |
56310446 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-129.46 |
7.25 |
-8.41 |
-0.27 |
0 |
|
|
151748 |
56310448 |
1 |
N4O5C22H26 |
A4B5C22D26 |
-93.37 |
8.18 |
-8.76 |
-1.36 |
0 |
|
|
151749 |
56310456 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-87.11 |
3.62 |
-8.34 |
-0.93 |
0 |
|
|
151750 |
56310466 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-69.17 |
4.52 |
-8.61 |
-0.43 |
0 |
|
|
151751 |
56310470 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-26.9 |
2.31 |
-8.4 |
-0.75 |
0 |
|
|
151752 |
56310477 |
1 |
SN3O4C23H31 |
AB3C4D23E31 |
-124.32 |
8.15 |
-8.6 |
-0.62 |
0 |
|
|
151753 |
56310479 |
1 |
ON4C23H26 |
AB4C23D26 |
41.37 |
5.39 |
-8.85 |
-0.47 |
0 |
|
|
151754 |
56310486 |
1 |
O3N4C24H30 |
A3B4C24D30 |
-102.38 |
1.77 |
-9.06 |
-0.03 |
0 |
|
|
151755 |
56310490 |
1 |
SO3N4C25H32 |
AB3C4D25E32 |
-110.7 |
1.04 |
-9.09 |
-0.58 |
0 |
|
|
151756 |
56310492 |
1 |
FO3N4C27H33 |
AB3C4D27E33 |
-127.88 |
2.83 |
-8.96 |
-0.84 |
0 |
|
|
151757 |
56310504 |
1 |
O2N3C26H33 |
A2B3C26D33 |
-52.7 |
4.2 |
-8.83 |
0.22 |
0 |
|
|
151758 |
56310508 |
1 |
N3O4C25H33 |
A3B4C25D33 |
-133.35 |
4.24 |
-8.57 |
-0.04 |
0 |
|
|
151759 |
56310509 |
1 |
N3O5C26H29 |
A3B5C26D29 |
-169.0 |
10.25 |
-9.14 |
-1.04 |
0 |
|
|
151760 |
56310513 |
1 |
N5O5C22H25 |
A5B5C22D25 |
-70.55 |
4.48 |
-9.17 |
-1.74 |
0 |
|
|
151761 |
56310527 |
1 |
FON4C22H25 |
ABC4D22E25 |
-11.7 |
8.77 |
-8.75 |
-0.57 |
0 |
|
|
151762 |
56310532 |
1 |
N2O2C23H26 |
A2B2C23D26 |
-21.53 |
5.31 |
-8.52 |
-0.43 |
0 |
|
|
151763 |
56310535 |
2 |
ON2C13H16 |
AB2C13D16 |
-18.56 |
4.76 |
-8.44 |
-0.16 |
0 |
|
|
151764 |
56310537 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-175.44 |
5.36 |
-8.43 |
-0.21 |
0 |
|
|
151765 |
56310539 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-17.1 |
3.4 |
-8.57 |
-0.79 |
0 |
|
|
151766 |
56310559 |
2 |
N2O2C13H17 |
A2B2C13D17 |
-143.0 |
5.52 |
-8.45 |
-0.23 |
0 |
|
|
151767 |
56310561 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-132.74 |
5.27 |
-8.52 |
-0.28 |
0 |
|
|
151768 |
56310564 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-127.01 |
7.29 |
-8.43 |
-0.21 |
0 |
|
|
151769 |
56310568 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-54.62 |
4.69 |
-8.7 |
-0.74 |
0 |
|
|
151770 |
56310571 |
1 |
N3O7C25H29 |
A3B7C25D29 |
-248.0 |
3.47 |
-8.66 |
-1.16 |
0 |
|
|
151771 |
56310572 |
1 |
SO3N4C23H26 |
AB3C4D23E26 |
-67.59 |
3.29 |
-8.61 |
-1.1 |
0 |
|
|
151772 |
56310573 |
1 |
SN2O5C22H30 |
AB2C5D22E30 |
-155.63 |
5.45 |
-7.76 |
-0.43 |
0 |
|
|
151773 |
56310574 |
1 |
S2N3O5C21H27 |
A2B3C5D21E27 |
-119.08 |
7.11 |
-7.99 |
-1.32 |
0 |
|
|
151774 |
56310575 |
1 |
SN2O4C21H28 |
AB2C4D21E28 |
-129.22 |
6.08 |
-7.72 |
-0.28 |
0 |
|
|
151775 |
56310576 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-146.54 |
0.91 |
-7.81 |
0.36 |
0 |
|
|
151776 |
56310577 |
1 |
ClFN4C20H22 |
ABC4D20E22 |
18.73 |
3.18 |
-8.83 |
-0.49 |
0 |
|
|
151777 |
56310578 |
1 |
S2N4O4C19H24 |
A2B4C4D19E24 |
-122.87 |
9.84 |
-7.94 |
-0.73 |
0 |
|
|
151778 |
56310579 |
1 |
SO3N5C25H27 |
AB3C5D25E27 |
-50.63 |
2.29 |
-8.46 |
-0.99 |
0 |
|
|
151779 |
56310580 |
1 |
ClON5C20H22 |
ABC5D20E22 |
21.51 |
2.64 |
-8.76 |
-0.87 |
0 |
|
|
151780 |
56310581 |
1 |
FSO2N4H23C28 |
ABC2D4E23F28 |
6.03 |
3.38 |
-8.43 |
-0.94 |
0 |
|
|
151781 |
56310582 |
1 |
ClSN3O3H24C25 |
ABC3D3E24F25 |
-52.64 |
7.44 |
-8.28 |
-1.05 |
0 |
|
|
151782 |
56310583 |
1 |
OSN3C20H21 |
ABC3D20E21 |
60.24 |
3.94 |
-8.79 |
-0.16 |
0 |
|
|
151783 |
56310584 |
1 |
SN4O4C20H26 |
AB4C4D20E26 |
-119.82 |
8.88 |
-8.06 |
-0.79 |
0 |
|
|
151784 |
56310585 |
1 |
FN2O2C19H23 |
AB2C2D19E23 |
-93.54 |
2.45 |
-8.89 |
-0.36 |
0 |
|
|
151785 |
56310586 |
1 |
FO3N4C19H25 |
AB3C4D19E25 |
-149.14 |
3.06 |
-8.69 |
-0.25 |
0 |
|
|
151786 |
56310587 |
1 |
FON7C21H26 |
ABC7D21E26 |
11.14 |
3.39 |
-8.28 |
-0.58 |
0 |
|
|
151787 |
56310589 |
1 |
SN3O3C22H29 |
AB3C3D22E29 |
-73.57 |
9.44 |
-8.94 |
-0.41 |
0 |
|
|
151788 |
56310590 |
2 |
NOC11H14 |
ABC11D14 |
-25.85 |
2.37 |
-8.87 |
0.19 |
0 |