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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
163653 |
58106543 |
1 |
FSH15C23 |
ABC15D23 |
61.41 |
1.26 |
-8.46 |
-1.51 |
0 |
|
|
163656 |
58106554 |
1 |
S2H14C21 |
A2B14C21 |
151.85 |
1.79 |
-7.61 |
-2.17 |
0 |
|
|
163657 |
58106555 |
1 |
OSH14C22 |
ABC14D22 |
90.01 |
2.05 |
-8.35 |
-1.46 |
0 |
|
|
163658 |
58106557 |
2 |
SH10C16 |
AB10C16 |
204.24 |
1.02 |
-7.62 |
-2.26 |
0 |
|
|
163659 |
58106566 |
1 |
OSH24C27 |
ABC24D27 |
62.72 |
2.48 |
-8.32 |
-1.39 |
0 |
|
|
163660 |
58106585 |
1 |
PdC4O4H8 |
AB4C4D8 |
-107.54 |
0.8 |
-6.94 |
-1.36 |
-1 |
|
|
163661 |
58106600 |
1 |
NVH10C13 |
ABC10D13 |
151.53 |
0.73 |
-6.94 |
-0.53 |
-1 |
|
|
163662 |
58106603 |
1 |
FIrNC19H23 |
ABCD19E23 |
135.47 |
25.64 |
-10.01 |
-5.25 |
-1 |
|
|
163663 |
58106605 |
1 |
IrNPH13C16 |
ABCD13E16 |
189.65 |
0.88 |
-8.63 |
-4.3 |
0 |
|
|
163664 |
58106611 |
1 |
NF4H19C21 |
AB4C19D21 |
-154.95 |
3.67 |
-9.09 |
-0.82 |
-1 |
|
|
163665 |
58106619 |
1 |
IrNH10C13 |
ABC10D13 |
258.31 |
27.4 |
-9.55 |
-7.13 |
-2 |
|
|
163666 |
58106622 |
2 |
VC2H3 |
AB2C3 |
185.2 |
3.5 |
-5.6 |
0.42 |
-1 |
|
|
163667 |
58106623 |
1 |
FIrNOH15C17 |
ABCDE15F17 |
98.32 |
1.99 |
-8.83 |
-4.63 |
-1 |
|
|
163669 |
58106630 |
1 |
NSC18H19 |
ABC18D19 |
43.52 |
1.42 |
-8.55 |
-0.31 |
0 |
|
|
163671 |
58106633 |
1 |
BFIrNH18C20 |
ABCDE18F20 |
153.01 |
5.21 |
-9.09 |
-5.09 |
-2 |
|
|
163673 |
58106637 |
1 |
FIrNH13C17 |
ABCD13E17 |
175.24 |
26.6 |
-8.98 |
-5.34 |
0 |
|
|
163674 |
58106638 |
1 |
FNH14C17 |
ABC14D17 |
13.56 |
1.83 |
-8.89 |
-0.48 |
0 |
|
|
163675 |
58106640 |
1 |
NOPH12C13 |
ABCD12E13 |
70.11 |
3.23 |
-9.11 |
-1.18 |
0 |
|
|
163676 |
58106643 |
1 |
FN3O3H30C46 |
AB3C3D30E46 |
84.62 |
2.05 |
-8.68 |
-0.61 |
0 |
|
|
163677 |
58106644 |
1 |
FN3O3H30C37 |
AB3C3D30E37 |
-22.88 |
2.7 |
-8.96 |
0.0 |
-2 |
|
|
163679 |
58106647 |
1 |
FIrNH13C17 |
ABCD13E17 |
130.15 |
8.41 |
-8.69 |
-4.67 |
0 |
|
|
163680 |
58106661 |
1 |
AlON2C16H17 |
ABC2D16E17 |
81.84 |
5.37 |
-8.04 |
-1.51 |
0 |
|
|
163681 |
58106662 |
1 |
AlN2C16H17 |
AB2C16D17 |
159.05 |
3.12 |
-8.03 |
-0.77 |
0 |
|
|
163683 |
58106665 |
1 |
N3C13H19 |
A3B13C19 |
43.41 |
2.33 |
-7.82 |
-0.15 |
0 |
|
|
163684 |
58106667 |
1 |
NOH9C12 |
ABC9D12 |
115.06 |
1.32 |
-8.93 |
-1.04 |
-1 |
|
|
163685 |
58106668 |
1 |
YN2F3H8C13 |
AB2C3D8E13 |
-171.41 |
3.56 |
-8.61 |
-1.54 |
0 |
|
|
163686 |
58106669 |
1 |
N2F3H9C13 |
A2B3C9D13 |
-1.12 |
3.54 |
-9.17 |
-1.18 |
-1 |
|
|
163687 |
58106670 |
1 |
NPtO2H10C12 |
ABC2D10E12 |
105.77 |
1.05 |
0.0 |
0.0 |
0 |
|
|
163688 |
58106671 |
1 |
OScN2C17H20 |
ABC2D17E20 |
-67.49 |
7.57 |
0.0 |
0.0 |
0 |
|
|
163689 |
58106682 |
1 |
NOC14H17 |
ABC14D17 |
-4.19 |
1.49 |
-9.14 |
0.01 |
0 |
|
|
163691 |
58106703 |
1 |
NF3H14C18 |
AB3C14D18 |
-104.2 |
3.8 |
-9.26 |
-0.89 |
-2 |
|
|
163693 |
58106706 |
1 |
VH13C14 |
AB13C14 |
127.58 |
3.84 |
-6.39 |
-0.13 |
0 |
|
|
163694 |
58106707 |
14 |
CH |
AB |
43.31 |
1.09 |
-8.94 |
0.39 |
0 |
|
|
163695 |
58106713 |
1 |
FNH12C13 |
ABC12D13 |
-2.18 |
1.68 |
-9.41 |
-0.18 |
0 |
|
|
163696 |
58106716 |
1 |
FN3O3H30C46 |
AB3C3D30E46 |
82.75 |
1.7 |
-8.82 |
-0.69 |
0 |
|
|
163697 |
58106718 |
1 |
ON2C18H22 |
AB2C18D22 |
82.02 |
2.62 |
-8.72 |
-0.72 |
0 |
|
|
163698 |
58106719 |
1 |
AlFNOPC17H20 |
ABCDEF17G20 |
-61.65 |
1.84 |
-8.53 |
-0.47 |
0 |
|
|
163699 |
58106726 |
1 |
N3H33C38 |
A3B33C38 |
148.9 |
3.22 |
-9.17 |
-0.15 |
0 |
|
|
163701 |
58106732 |
1 |
AlNSO2H8C12 |
ABCD2E8F12 |
83.35 |
5.84 |
-7.67 |
-1.47 |
0 |
|
|
163702 |
58106733 |
1 |
FOPtN3H18C24 |
ABCD3E18F24 |
135.17 |
6.17 |
-7.96 |
-1.62 |
0 |
|
|
163703 |
58106734 |
1 |
FON3H20C24 |
ABC3D20E24 |
23.63 |
5.83 |
-8.7 |
-0.6 |
-1 |
|
|
163704 |
58106737 |
1 |
IrSN4C10H13 |
ABC4D10E13 |
169.94 |
26.73 |
-9.25 |
-5.94 |
-1 |
|
|
163705 |
58106741 |
1 |
FIrN2H16C18 |
ABC2D16E18 |
190.69 |
27.11 |
-9.04 |
-5.31 |
-1 |
|
|
163706 |
58106743 |
1 |
IrSN3C11H14 |
ABC3D11E14 |
190.96 |
29.66 |
-9.45 |
-7.03 |
0 |
|
|
163707 |
58106748 |
1 |
FNO3H16C17 |
ABC3D16E17 |
-118.11 |
3.7 |
-9.14 |
-0.68 |
-1 |
|
|
163708 |
58106749 |
1 |
NZrH10C13 |
ABC10D13 |
200.64 |
6.29 |
0.0 |
0.0 |
-1 |
|
|
163709 |
58106750 |
1 |
VN2C11H13 |
AB2C11D13 |
98.59 |
1.03 |
-6.07 |
-0.02 |
0 |
|
|
163710 |
58106754 |
1 |
NOC14H15 |
ABC14D15 |
6.87 |
0.76 |
-9.32 |
0.05 |
-1 |
|
|
163712 |
58106756 |
1 |
NOsPH15C18 |
ABCD15E18 |
124.07 |
5.2 |
0.0 |
0.0 |
0 |
|
|
163714 |
58874569 |
1 |
N2F3O3H13C24 |
A2B3C3D13E24 |
-87.37 |
6.5 |
-9.35 |
-1.61 |
0 |
|
|
163715 |
58874572 |
1 |
SN3O4F6H35C36 |
AB3C4D6E35F36 |
-434.01 |
9.28 |
-9.91 |
-1.68 |
0 |
|
|
163716 |
58874585 |
1 |
SN5O6C26H27 |
AB5C6D26E27 |
-102.59 |
8.56 |
-9.11 |
-1.17 |
0 |
|
|
163717 |
58874593 |
1 |
NF3O3H16C24 |
AB3C3D16E24 |
-158.92 |
8.55 |
-9.36 |
-1.27 |
0 |
|
|
163718 |
58874595 |
1 |
S2N3O3H29C33 |
A2B3C3D29E33 |
3.09 |
6.05 |
-8.45 |
-0.96 |
0 |
|
|
163720 |
58874621 |
1 |
SN3O3C22H23 |
AB3C3D22E23 |
-54.57 |
2.72 |
-8.61 |
-0.83 |
0 |
|
|
163721 |
58874627 |
1 |
N2S2F3O3H19C28 |
A2B2C3D3E19F28 |
-135.8 |
5.32 |
-9.16 |
-1.19 |
0 |
|
|
163722 |
58874628 |
1 |
SF3N3O3H14C25 |
AB3C3D3E14F25 |
-101.54 |
6.53 |
-9.3 |
-1.6 |
0 |
|
|
163723 |
58874640 |
1 |
SF3N4O4C33H37 |
AB3C4D4E33F37 |
-285.07 |
6.15 |
-9.32 |
-0.88 |
0 |
|
|
163724 |
58874644 |
1 |
S2F3N4O4H25C34 |
A2B3C4D4E25F34 |
-133.24 |
10.8 |
-8.99 |
-1.34 |
0 |
|
|
163726 |
58874654 |
1 |
SF3N5O8H26C27 |
AB3C5D8E26F27 |
-280.37 |
7.17 |
-9.58 |
-1.77 |
0 |
|
|
163727 |
58874656 |
1 |
SN2O2H18C24 |
AB2C2D18E24 |
33.14 |
4.48 |
-8.34 |
-0.89 |
0 |
|
|
163729 |
58874706 |
1 |
SF3N5O8H24C26 |
AB3C5D8E24F26 |
-283.38 |
3.67 |
-9.7 |
-2.11 |
0 |
|
|
163730 |
58874709 |
1 |
SF3N4O4H27C28 |
AB3C4D4E27F28 |
-261.19 |
4.94 |
-9.2 |
-1.2 |
0 |
|
|
163731 |
58874710 |
1 |
SN3O5H37C39 |
AB3C5D37E39 |
-114.49 |
1.5 |
-8.54 |
-0.87 |
0 |
|
|
163732 |
58874714 |
1 |
SF3N5O5H32C35 |
AB3C5D5E32F35 |
-210.1 |
7.66 |
-8.83 |
-1.31 |
0 |
|
|
163733 |
58874716 |
1 |
SN4O4C36H48 |
AB4C4D36E48 |
-129.97 |
3.88 |
-8.03 |
-0.64 |
0 |
|
|
163734 |
58874719 |
1 |
NO2F3H10C19 |
AB2C3D10E19 |
-108.92 |
5.31 |
-9.22 |
-1.85 |
0 |
|
|
163735 |
58874722 |
1 |
NSF3O4H14C22 |
ABC3D4E14F22 |
-188.7 |
4.31 |
-9.4 |
-1.65 |
0 |
|
|
163736 |
58874727 |
1 |
SN3O5H11C13 |
AB3C5D11E13 |
-74.19 |
5.81 |
-9.69 |
-1.8 |
1 |
|
|
163737 |
58874734 |
1 |
NO2F3H11C20 |
AB2C3D11E20 |
-95.32 |
1.72 |
0.0 |
0.0 |
0 |
|
|
163741 |
58874761 |
1 |
SN6O6H24C26 |
AB6C6D24E26 |
-64.17 |
2.0 |
-9.35 |
-1.58 |
0 |
|
|
163743 |
60455484 |
1 |
BrON2F4H11C15 |
ABC2D4E11F15 |
-202.46 |
3.56 |
-9.51 |
-0.8 |
0 |
|
|
163744 |
60770383 |
1 |
N3C12H13 |
A3B12C13 |
58.02 |
1.95 |
-8.55 |
-0.26 |
0 |
|
|
163745 |
74270311 |
1 |
ClN5O5C20H28 |
AB5C5D20E28 |
-136.11 |
6.36 |
-10.12 |
-1.66 |
0 |
|
|
163746 |
74335189 |
1 |
FO3N4C21H25 |
AB3C4D21E25 |
-137.76 |
8.1 |
-9.29 |
-0.34 |
0 |
|
|
163747 |
74374074 |
1 |
SN2O4C25H26 |
AB2C4D25E26 |
-87.32 |
4.61 |
-9.03 |
-0.65 |
0 |
|
|
163748 |
74374075 |
1 |
SN2O2C20H22 |
AB2C2D20E22 |
-34.13 |
2.26 |
-8.92 |
-0.48 |
0 |
|
|
163749 |
74374101 |
1 |
N2O2C19H20 |
A2B2C19D20 |
10.39 |
4.72 |
-9.06 |
-0.93 |
0 |
|
|
163751 |
74374116 |
1 |
OSN6C18H26 |
ABC6D18E26 |
27.46 |
2.96 |
-8.8 |
-0.84 |
0 |
|
|
163752 |
74374142 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-109.23 |
5.7 |
-9.42 |
-0.57 |
0 |
|
|
163753 |
74374145 |
1 |
Cl2N3O4C20H23 |
A2B3C4D20E23 |
-113.4 |
1.87 |
-9.67 |
-0.86 |
0 |
|
|
163754 |
74374147 |
1 |
N3O5C35H35 |
A3B5C35D35 |
-93.83 |
11.51 |
-8.41 |
-1.16 |
0 |
|
|
163755 |
74374164 |
1 |
FN3O5C28H32 |
AB3C5D28E32 |
-138.13 |
3.68 |
-8.33 |
-1.3 |
0 |
|
|
163756 |
74374169 |
1 |
N2O7H22C25 |
A2B7C22D25 |
-98.67 |
1.66 |
-8.35 |
-1.68 |
0 |
|
|
163757 |
74374176 |
1 |
O2N4C21H22 |
A2B4C21D22 |
47.84 |
5.23 |
-8.77 |
-0.87 |
0 |
|
|
163758 |
74374177 |
1 |
O2N3C23H25 |
A2B3C23D25 |
13.01 |
6.38 |
-8.35 |
-0.75 |
0 |
|
|
163759 |
74374179 |
1 |
OF3N4C27H31 |
AB3C4D27E31 |
-148.65 |
6.24 |
-8.69 |
-0.45 |
0 |
|
|
163760 |
74374181 |
1 |
ON4C26H32 |
AB4C26D32 |
10.09 |
5.91 |
-8.45 |
0.0 |
0 |
|
|
163761 |
74374182 |
1 |
ON4C27H34 |
AB4C27D34 |
0.27 |
2.66 |
-8.72 |
0.22 |
0 |
|
|
163762 |
74374183 |
1 |
FO2N4C26H31 |
AB2C4D26E31 |
-65.35 |
2.17 |
-8.72 |
-0.09 |
0 |
|
|
163763 |
74374187 |
1 |
Cl2O3N4C28H34 |
A2B3C4D28E34 |
-123.84 |
5.22 |
-9.22 |
-1.04 |
0 |
|
|
163764 |
74374189 |
1 |
Cl2O3N4C27H32 |
A2B3C4D27E32 |
-113.67 |
6.57 |
-8.83 |
-1.22 |
0 |
|
|
163765 |
74374190 |
1 |
Cl2O2N4C29H36 |
A2B2C4D29E36 |
-83.65 |
4.89 |
-8.84 |
-0.88 |
0 |
|
|
163766 |
74374193 |
1 |
SBr2O2F5H9C21 |
AB2C2D5E9F21 |
-199.55 |
3.09 |
-9.02 |
-1.6 |
0 |
|
|
163767 |
74374194 |
1 |
BrNSO4F5H9C21 |
ABCD4E5F9G21 |
-201.98 |
3.9 |
-9.44 |
-1.87 |
0 |
|
|
163768 |
74374197 |
1 |
O5H18C19 |
A5B18C19 |
-127.67 |
3.28 |
-8.82 |
-0.96 |
0 |
|
|
163770 |
74374203 |
1 |
NSO4C11H17 |
ABC4D11E17 |
-151.77 |
3.82 |
-9.52 |
-0.46 |
0 |
|
|
163771 |
74374211 |
1 |
PF2O8C18H19 |
AB2C8D18E19 |
-434.12 |
6.26 |
-8.81 |
-0.86 |
0 |
|
|
163772 |
74374214 |
1 |
F2N2O6C21H24 |
A2B2C6D21E24 |
-291.18 |
2.93 |
-8.64 |
-0.7 |
0 |
|
|
163773 |
74374218 |
1 |
ClN8O8C28H31 |
AB8C8D28E31 |
-29.18 |
9.51 |
-9.39 |
-1.35 |
0 |