the bicyclo[2.2.2]octane motif: a class of saturated group

doi.org/10.26434/chemrxiv.7258214.v1

The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 QuantumInterference Based Single-molecule InsulatorsMarc H. Garner, Mads Koerstz, Jan H. Jensen, Gemma C. Solomon

Submitted date: 26/10/2018 • Posted date: 29/10/2018Licence: CC BY 4.0Citation information: Garner, Marc H.; Koerstz, Mads; Jensen, Jan H.; Solomon, Gemma C. (2018): TheBicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-moleculeInsulators. ChemRxiv. Preprint.

The electronic transmission through σ-conjugated molecules can be fully suppressed by destructive quantuminterference, which makes them potential candidates for single-molecule insulators. The first molecule withclear suppression of the single-molecule conductance due to σ-interference was recently found in the form ofa functionalized bicyclo[2.2.2]octasilane. Here we continue the search for potential single-molecule insulatorsbased on saturated group 14 molecules. Using a high-throughput screening approach, we assess the electrontransport properties of the bicyclo[2.2.2]octane class by systematically varying the constituent atoms betweencarbon, silicon, and germanium, thus exploring the full chemical space of 771 different molecules. Themajority of the molecules in the bicyclo[2.2.2]octane class are found to be highly insulating molecules. Thoughthe all-silicon molecule is a clear-cut case of σ-interference, it is not unique within its class and there are manypotential molecules that we predict to be more insulating. The finding of this class of quantum interferencebased single-molecule insulators indicates that a broad range of highly insulating saturated group 14molecules are likely to exist

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The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-molecule Insulators Marc H. Garner1,2, Mads Koerstz1, Jan H. Jensen1, Gemma C. Solomon1, 2*

1Department of Chemistry and 2Nano-Science Center, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen Ø, Denmark.

AUTHOR INFORMATION [email protected]

ABSTRACT

The electronic transmission through s-conjugated molecules can be fully suppressed by destructive quantum interference, which makes them potential candidates for single-molecule insulators. The first molecule with clear suppression of the single-molecule conductance due to s-interference was recently found in the form of a functionalized bicyclo[2.2.2]octasilane. Here we continue the search for potential single-molecule insulators based on saturated group 14 molecules. Using a high-throughput screening approach, we assess the electron transport properties of the bicyclo[2.2.2]octane class by systematically varying the constituent atoms between carbon, silicon, and germanium, thus exploring the full chemical space of 771 different molecules. The majority of the molecules in the bicyclo[2.2.2]octane class are found to be highly insulating molecules. Though the all-silicon molecule is a clear-cut case of s-interference, it is not unique within its class and there are many potential molecules that we predict to be more insulating. The finding of this class of quantum interference based single-molecule insulators indicates that a broad range of highly insulating saturated group 14 molecules are likely to exist.

TOC GRAPHICS

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Single-molecule conductance measured at low bias in metal-molecule-metal junctions is generally a coherent electron transport process best described as a tunneling mechanism.1 The transmission through a molecule can be suppressed by destructive quantum interference;2 a phenomenon that has been demonstrated in a variety of p-conjugated systems.3-10 In principle these molecules are ideal candidates for insulating molecular units, but when transmission through the underlying s-system is not suppressed such p-conjugated molecules cannot be more insulating than saturated molecules of equivalent length, such as alkanes.11-16

In recent work,16 we presented the first saturated molecule with destructive s-interference in the

form of a functionalized bicyclo[2.2.2]octasilane (Si222) shown in Scheme 1. With a single-molecule conductance that is much lower than saturated molecules of the same length we consider Si222 the first quantum interference based single-molecule insulator. Given that the transmission is almost completely suppressed by destructive interference, we found that removing the insulating bicyclic part of the molecule in the simulation increases the transmission by an order of magnitude. The insulating bicyclic molecular component is, in theory, a better insulator than a gap of the same size; such is the peculiar effect of destructive s-interference.16

Scheme 1. Si222.

Saturated s-conjugated molecules exhibit a rich variety of electronic properties, which are well-described for linear silanes in the literature.17-21 The strong electronic coupling through silanes make them candidates for conducting molecular wires,22-25 and an open question is how s-conjugation and s-interference effects change up or down group 14, from silicon to carbon and germanium.26-32 Wallner et al. prepared a series of mixed [2.2.2]bicyclic organosilanes,33 and several mixed saturated group 14 compounds have been reported.34-42 The all-carbon bicyclo[2.2.2]octane is a commonly used insulating bridge unit, for example in the original Aviram-Ratner rectifier.43 With the finding of the all-silicon counterpart as an extremely insulating moiety, the bicyclo[2.2.2]octane class of molecules is evidently a good place to start the search for single-molecule insulators. In this letter, we exhaust the full combined chemical space of saturated carbon, permethylated silicon, and permethylated germanium, as illustrated in Scheme 2, by using a high-throughput screening approach44 to asses all 771 possible molecules of the class.

Scheme 2. Variation of the Bicyclo[2.2.2]octane Motif

H2C CH2

S CH3SH3C= Si, Si(CH3)2

= C, CH2= Si, Si(CH3)2= Ge, Ge(CH3)2

H2C CH2

S CH3SH3C

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We use a custom RDKit script to generate all combinations of carbon, silicon, and germanium in the bicyclo[2.2.2]octane class as illustrated in Scheme 2.45 With three variations in 8 atoms this yields a total of 38 possible combinations, which are reduced to 771 distinct molecules by symmetry. As described in detail in Supporting Information part I, we sample 9 conformations of each of the 771 molecules, which we optimize with GFN-xTB.46 The 6939 structures are further optimized using density functional theory (DFT) with the PBE functional and a DZP basis set as implemented in the Atomic simulation environment (ASE) and GPAW.47-50 This way we obtain molecular structures of good quality; although an assessment of relative energies and thermodynamic properties may require higher level calculations.

We calculate the Landauer transmission for all 6939 structures using a custom-made transport code

implemented with GPAW. As described in Supporting Information part I, this approach employs wide-band electrodes with the non-equilibrium Green’s function (NEGF) approach and DFT using the PBE functional and DZP basis set. Our transport code allows for very cost-effective calculation of the transmission without compromising the quality of the electronic structure calculation; using an energy grid of 200 data-points it takes less than 10 minutes to complete the transmission calculation of Si222 on a single processor. All custom scripts are described in Supporting Information part I and are available as open-source code.

From the wide-band transmission, we select the most insulating conformations of each molecule

for further analysis. The energetic positions of antiresonances in the transmission are very sensitive to changes in the electronic structure, and therefore also method dependent. Furthermore, the Fermi energy of the electrodes cannot be predicted exactly with DFT.51 For each molecule we select both the conformation with the lowest transmission at the Fermi energy and the conformation with the lowest transmission in the range from –1.5 and +1.5 eV relative to the Fermi energy; the latter criterion finds structures with a sharp antiresonance in the transmission somewhere in the vicinity of the Fermi energy. This procedure yields 1181 structures: 1 or 2 conformations from each of the 771 molecules. For around half of the 771 molecules, the conformation with the lowest transmission between –1.5 and +1.5 eV also has the lowest transmission at the Fermi energy and for those molecules only 1 conformation is selected.

We calculate the transmission of Au-molecule-Au junctions for the 1181 selected structures.

Briefly, junctions are created by placing the molecule between four-atom Au pyramids placed on 5 × 5 Au(111) surfaces. These junction structures are relaxed with the Au atoms kept fixed, then the transmission is calculated using DFT and the NEGF approach as implemented in ASE and GPAW.48-

50, 52 As in the wide-band calculations, we use the PBE functional and DZP basis set for all atoms, except for Au where a DZ basis set is applied.47

The transmission calculations using wide-band and Au electrodes are performed at a similar level

theory, but the two types of electrodes differ. In Figure 1, the junction structures and transmissions for Si222 are shown for the two setups. Each wide-band electrode is depicted as a hydrogen molecule; it corresponds to a one-dimensional periodic chain of hydrogen atoms as detailed in supporting information part I. The Au-electrode is depicted as an Au-pyramid. Naturally, the electronic coupling of the electrodes into the sulfur atoms is quite different depending on whether it is through a hydrogen 1s orbital or an Au 6s orbital. In Figure 1d it is notable that the transmission resonances are narrower using the wide-band electrodes, and consequently the transmission is generally lower. This is the consequence of the overlap between a hydrogen 1s and sulfur 3p orbital being smaller than that of Au 6s and sulfur 3p. This difference also seems to affect the sharpness of antiresonances in the

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transmission, which are less sharp in the Au calculation; we hypothesize this is the result of the diffuse Au orbitals coupling into multiple orbitals on sulfur and neighboring orbitals. While the transmission properties are generally preserved, we note that the antiresonance energy in Si222 changes by approximately half an eV. This again emphasizes that it is not straightforward to find one simple selection criterion to lowering the number of conformations we screen. Ideally the transmission should be qualitatively similar to that found with the computationally expensive Au-electrodes.

Figure 1. Structural motif (a) Wide-band junction (b), and Au-molecule-Au junction of Si222 (c). (d) Transmission calculated using the two setups for Si222.

Plotting the full data-set of the wide-band transmission as a histogram in Figure 2a, it is clear that there are many structures with very low transmission, i.e. around 10-6 and lower. Comparing the two data-sets with the wide-band and Au electrodes directly in Figure 2b, there are notable differences as we alluded to in the previous section. Almost every junction has lower transmission at the Fermi energy (T(EF)) with wide-band electrodes. For the majority, the difference is fairly systematic. However, for a significant number of junctions the transmission at the Fermi energy is several orders of magnitude lower with wide-band electrodes, and these are cases where there is a sharp antiresonance near the Fermi energy. We do not find cases where the transmission with Au electrodes becomes extremely low. This is not an error in the wide-band transmission, it is just a different junction corresponding to an experiment that cannot easily be realized – one with hydrogen atoms as electrodes. Consequently, there is promise for other realistic electrode types, or different types of experiments, where destructive interference phenomena might be even more pronounced than with Au-electrodes.

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Figure 2. Histogram of T(EF) for all 6939 junctions calculated using wide-band electrodes. (b) T(EF) for 1181 selected junctions calculated using Au-electrodes plotted against the T(EF) calculated with wide-band electrodes. (c) Histogram of T(EF) for 1181 selected junctions calculated using Au-electrodes. (d) Histogram of the minimum transmission value between –1.5 and + 1.5 eV for 1181 selected junctions calculated using Au-electrodes.

Sorting the transmission at the Fermi energy of the 1181 Au-molecule-Au junctions in a histogram in Figure 2c, we see that the values are distributed over approximately two orders of magnitude. While the transmission of Si222 is among the low ones, Si222 only has the 146th lowest transmission at the Fermi energy of the 771 molecules of its class. Listed in Table 1 are the top 5 most insulating molecules at the Fermi energy. The most insulating one, Comp683-6 (conformation no. 6 of molecule no. 683), has over three times lower transmission at the Fermi energy than Si222. Between Comp683-6 and Si222, another 144 molecules of the class fall in-between.

We find it informative to also look at the lowest transmission in the range 1.5 eV above and below

the Fermi energy (Tmin), looking for a sharp antiresonance within the HOMO-LUMO gap. Shown as a histogram in Figure 2d, it is clear that there are now two subclasses of molecules. A notable fraction of molecules have lower transmission than at the Fermi energy; these are the ones with a sharp antiresonance in the transmission. Again, as listed in Table 2, Si222 performs very well among the top insulating molecules and ranks as no. 65 out of the 771 molecules of its class. Whether looking at the transmission at the Fermi energy or in a broader energy range, it is clear that though Si222 is an exceptional insulator, it is not a particularly special molecule within its class.

At this time, we find no clear structural pattern of the top insulators; a broad variation of motifs is

represented and the top insulators consist of at least two heteroatoms. Still, it is notable that between each of Comp260-7, Comp216-4, and Comp214-8—ranked 1, 2, and 5 in Table 2—only a single germanium atom has been changed to a silicon atom. We hypothesize that there is a balance in the electronic structure that regulates the transmission. Altering the molecular structure allows a fine-tuning of the s-interference effect. Understanding this interplay between the different atoms in s-conjugated molecules using simple electronic structure models20-21 will be an important goal for future work.

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Table 1. Molecules with lowest transmission at the Fermi energy. aAtom color scheme is shown in Scheme 2. bFull list is included in Supporting Information. Only the lowest conformation of each molecule is included.

Ranking Name T(EF) Structure

1 Comp683-6 6.2´10-7

2 Comp362-4 8.0´10-7

3 Comp578-8 8.5´10-7

4 Comp538-5 8.8´10-7

5 Comp763-2 8.8´10-7

146 Si222 2.2´10-6

Table 2. Molecules with lowest transmission between –1.5 and 1.5 eV. aAtom color scheme is shown in Scheme 2. bFull list is included in Supporting Information. Only the lowest conformation of each molecule is included.

Ranking Name Tmin Structure

1 Comp260-7 1.1´10-7

2 Comp216-4 1.2´10-7

3 Comp731-4 1.3´10-7

4 Comp320-8 1.3´10-7

5 Comp214-8 1.5´10-7

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65 Si222 4.4´10-7

Let us briefly compare the transmissions of the two top candidates, Comp260-7 and Comp683-6, with Si222 as plotted in Figure 3. The transmission of Comp260-7 has an antiresonance at around –1 eV that is much sharper than that of Si222. Despite the sharp antiresonance, Comp260-7 actually has the highest transmission of the three at the Fermi energy. The transmission of Comp683-6 is suppressed over a much broader energy range without a clear antiresonance. Though all three are very good insulators, they may be suitable for different applications. A narrow antiresonance in the transmission may be suitable for conductance suppression in a small bias range, which may facilitate conductance switching. Furthermore, a sharp antiresonance is also a criterion for high thermopower,53-56 which we reported for a derivative of Si222.16 Conversely, when the transmission is suppressed over a broad energy range, the molecule will be insulating over a larger bias-range and is likely to be less sensitive to changes in the chemical environment.

Figure 3. Top insulating Au-molecule-Au junctions and corresponding transmission, compared with Si222. (a) Optimized junction of Comp260-7. (b) Optimized junction of Comp638-6. (c) Transmission of the two junctions and Si222.

A special property of Si222 is that the insulating bicyclic unit is, in theory, more insulating than a gap the same dimensions.16 If we cut away the three silicon-bridges of the bicyclic structure, pacify the two remaining silicon atoms with hydrogen atoms and calculate the transmission for the frozen structure, the transmission is around an order of magnitude higher than that of the molecule. This

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procedure gives a measure of how strong the transmission-suppression is in the bicyclic moiety. Shown in Figure 4a-c, we perform this procedure on Comp260-7 and Comp638-6. In both cases the transmission at the Fermi energy is over an order of magnitude lower for the full molecule than for the cut junctions.

Repeating this procedure for all 1181 junctions a remarkable trend emerges. Shown in Figure 4d,

the transmissions at the Fermi energy of the full junctions is plotted against that of the cut junctions. For 91% of the molecules the transmission at the Fermi energy is lower than a gap of the same dimensions; for 38% of them by more than an order of magnitude. If we instead chose the lowest transmission between –1.5 and +1.5 eV this trend is even more pronounced, as shown in Figure 4e. From these results it is clear that Si222 is not a special molecule within its class. The majority of molecules in the bicyclo[2.2.2]octane class are exceptional single-molecule insulators.

Figure 4. (a) Cut junction of Comp260-7. (b) Cut junction of Comp638-6. (c) Transmission functions of cut and full Au-molecule-Au junctions of Comp260-7 and Comp638-6. (d) Scatter plot of the transmission at the Fermi energy for the full junctions against the cut junctions for all 1182

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junctions. (e) Scatter plot of the minimum transmission between –1.5 and 1.5 eV for the full junctions against the cut junctions for all 1182 junctions.

In summary, we have used a high-throughput approach to screen the electron transport properties of the full chemical space of the bicyclo[2.2.2]octane motif based on saturated carbon, permethylated silicon, and permethylated germanium. Like the all-silicon Si222, the members of this class of molecules are extremely insulating due to destructive s-interference in the electronic transmission. We predict there are many members of the class that are even better single-molecule insulators than Si222, holding promise for future experimental efforts. While we have screened the electron transport properties of this prospective class of molecules, it is important to note that other properties remain to be screened in future efforts. The properties of single-molecule junctions depend on a number of factors, such as conformational freedom of the molecule.57 With complex cyclic and macrocyclic silicon-based molecules as realistic synthetic goals,58-59 we think high-throughput computational screening44 holds great promise for guiding future synthetic efforts by assessing large numbers of prospective molecules.

The finding of carbon, silicon, and germanium based bicyclo[2.2.2]octanes as a class of effective

quantum interference based single-molecule insulators emphasizes the need for further exploration of the structure-function relationship in s-conjugated molecules. With the perspective of inspiring new directions for research of insulating and dielectric materials,60-61 the search for single-molecule insulators continues to be an important prospect for molecular electronics.

Supporting Information. Computational details; Supplementary results.

ACKNOWLEDGMENT

We are grateful to Anders Jensen for technical contributions to our wide-band transmission code. M.H.G. and G.C.S. received funding from the Danish Council for Independent Research Natural Sciences and the Carlsberg Foundation.

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1

Supporting Information for: The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-molecule Insulators Marc H. Garner1,2, Mads Koerstz1, Jan H. Jensen1, Gemma C. Solomon1, 2*

1Department of Chemistry and 2Nano-Science Center, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen Ø, Denmark.

AUTHOR INFORMATION [email protected]

Table of contents

I. Computational Details 2

II. Supplementary Results 4

I. Computational Details

Structures for all 771 C-, Si-, and Ge-containing bicyclo[2.2.2] motifs were generated using an RDKit1 script (see section III for SMILES strings). H atoms on Si and Ge were replaced by methyl groups, and a dimethylsulfane group is added to each end of the bicyclo[2.2.2] motif (Figure S1). 50 random conformers were generated for each structure using RDKit and optimized with GFN-xTB2 in order to find the lowest energy conformation of the ring system. Optimizations that resulted in bond-rearrangement were discarded. The appropriate cage conformation was selected by choosing the lowest energy conformer among the 50 optimized conformers. The X-C-S-C dihedral angle was then set to 180° (Figure S1b), and eight additional conformations were generated by systematically changing the Y-X-C-S dihedral angle by ±120° from the initial optimization (figure S1a), thus generating a total of nine conformations per molecule. These 9 conformations were finally optimized with GFN-xTB2 to provide the initial set of structures. We do not check for symmetry among these 9 conformations, and some may be duplicates by symmetry; for example in Si222 there are only three conformations when considering the symmetry of the molecule.3 The scripts used to automatically perform these tasks are available at https://github.com/jensengroup/insulator-screening.

2

Figure S1. (a) Following the initial optimization, the Y-X-C-S dihedral angles are rotated another ±120° to sample the conformational space of the linkers into the cage. (b) The X-C-S-C dihedral angle is set 180°.

The procedure yields 9 conformations of each of the 771 molecules, thus providing 6939 structures. We optimize all these again using density functional theory (DFT) as implemented in the Atomic Simulation Environment and GPAW.4-6 All 6939 structures are optimized to a force threshold of 0.02 eV/Å using PBE exchange-correlation functional and dzp basis set.7 This approach is used in order to obtain good molecular structures, but may not be sufficient should we want to utilize molecular energies or calculate thermodynamic properties.

We calculate the Landauer transmission using a custom wide-band electrode code that is

compatible with GPAW. Single-molecule junctions are constructed by placing the molecule between two dihydrogen molecules, thus forming an extended molecular region. The S-H distance is set to 1.75 Å, the C-S-H bond angle is set to 110°, and the X-C-S-H dihedral angle is set to 180°. The terminal methyl groups are moved accordingly by rotating the appropriate X-C-S-C dihedral angle to ±90°.

The transmission, T(E), is calculated using the non-equilibrium Green’s functions approach using

DZP basis set for all atoms except hydrogen, which uses a SZ basis set.

𝑇 𝐸 = tr Γ' 𝐸 𝐺) 𝐸 Γ* 𝐸 𝐺+ 𝐸 (S1) here GL/R are the coupling matrices of the left and right electrodes. The wide-band electrodes corresponds to a periodic chain of hydrogen atoms using SZ basis set (an s-band electrode) with nonzero matrix elements of ΓL/R set to γ = 1.0 eV. With the Hamiltonian HM and overlap matrix SM of the extended molecular region (molecule and two dihydrogen molecules), and the calculated self-energies of the left and right electrodes SL/R, the advanced and retarded Green functions Gr/a are calculated using equation S2, 𝐺) + 𝐸 = 𝐸 · 𝑆. − 𝐻. − Σ2

3/5 𝐸 − Σ*3/5 𝐸

67 . (S2)

Though the electrodes are one-dimensional, this approach includes the spatially selective coupling from the electrode into the thiomethyl anchoring groups, and provides an effective way to calculate the transmission from a full quality DFT calculation. The wide-band transmission code is available at https://github.com/marchgarner/wide-band-transmission.

3

Using our wide-band code we calculate the transmission of all 6939 optimized structures. We select the most promising conformations based on their transmission. For each molecule, the conformation with the lowest transmission at the Fermi energy, and the conformation with the lowest transmission somewhere in the range –1.5 to +1.5 eV are chosen. In many cases these two conformations will be the same (if the antiresonance is close to the Fermi energy), and we therefore end up with 1181 structures; 1 or 2 conformations of each of the 771 molecules.

These 1181 structures are put in Au-molecule-Au junctions, with an initial Au-S bond length of

2.45 Å, Au-S-C bond angle of 110°, and Au-S-C-X dihedral angle of 180°. The extended molecular region consists of the molecule between two four-atom Au pyramids placed on 5 × 5 Au(111) surfaces with periodic boundary conditions in the plane of the surfaces. We use a DZ basis set for Au atoms and DZP for all other atoms. The extended molecular region is relaxed to a force threshold of 0.07 eV/Å with all Au atoms kept fixed during the optimization. The transmission is again calculated using the non-equilibrium Green’s functions approach with a k-point sampling over a 2 × 2 × 1 Monkhorst−Pack mesh in the first Brillouin zone as implemented in GPAW.8

II. Supplementary Results

The wide-band electrodes differ from the Au-electrodes in certain ways. Most notably, the hydrogen 1s orbital is not nearly as diffuse as an Au 6s orbital, and, to a lesser extent, Au has other orbitals that can contribute to the coupling into the sulfur anchoring groups. As shown in Figure 1 in the manuscript, this means that the transmission is generally lower and the antiresonances sharper with wide-band electrodes. Shown in Figure S2, we see that the lowest transmission between –1.5 and +1.5 eV is generally much lower than that calculated with Au-electrodes. This is because the antiresonances can be incredibly sharp; the lowest wide-band transmission being around 10 orders of magnitude lower than that for Au-electrodes. Because the antiresonance is so much sharper there is little correlation in Figure S2a, despite the calculations being performed at similar levels of theory. But with extremely sharp antiresonances in the wide-band transmission, the exact sharpness of the antiresonance, i.e. how low the transmission really is, becomes arbitrary and will depend on the spacing of energy grid. Therefore, the data is very scattered, and thus there is little correlation.

Figure S2. (a) Minimum transmission between –1.5 and +1.5 eV of 1181 selected junctions using Au-electrodes plotted against the minimum transmission calculated with Wb-electrodes. (b) Scatter plot of the transmission at the Fermi energy for the full junctions against the cut junctions for all 6939 junctions calculated using wb-electrodes. (e) Scatter plot of the minimum transmission between –1.5 and 1.5 eV for the full junctions against the cut junctions for all 6939 junctions calculated using wb-electrodes.

4

In Figure S2 panel b and c, we plot the wide-band transmission of the full junctions against the cut junctions of all 6939 structures probed. We see that when choosing the full data set there are many junctions that have higher transmission than the cut junctions; this is to be expected as cutting away the molecule generally lowers the transmission in the absence of strong destructive quantum interference. This also underlines the need for screening the conformational and thermodynamic properties of each individual molecule. While the majority of molecules have conformations that are more insulating than the cut molecule (see Figure 4 in the manuscript), many of them will also have conformations that are less insulating.

Here we include the complete tables of molecules with SMILES sorted by the lowest transmission

at the Fermi energy (Table S1) and the lowest transmission between –1.5 and +1.5 eV (Table S2) based on the Au-molecule-Au junction calculations. The all-silicon cage (denoted Si222 in the manuscript) is comp726. All structures have been deposited as .xyz files, and the two tables below have been deposited as csv files at https://doi.org/10.6084/m9.figshare.7252595.v1.

Table S1. Molecules sorted by lowest transmission at the Fermi energy.

Rank Name T(EF) SMILES

1 comp683-6 6.23E-07 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

2 comp362-4 8.00E-07 CSCC12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

3 comp578-8 8.46E-07 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

4 comp538-5 8.83E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

5 comp763-2 8.84E-07 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

6 comp735-8 9.17E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

7 comp720-2 9.23E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

8 comp436-1 9.41E-07 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

9 comp478-3 9.43E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

10 comp675-5 9.64E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

11 comp754-1 9.77E-07 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

12 comp612-0 9.86E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

13 comp540-7 9.97E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

14 comp645-3 1.01E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

15 comp747-1 1.01E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

16 comp744-3 1.02E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

17 comp657-6 1.03E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

18 comp529-1 1.04E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

19 comp757-1 1.05E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

20 comp679-6 1.05E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

21 comp434-2 1.09E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

22 comp414-7 1.12E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

23 comp748-7 1.13E-06 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

24 comp454-8 1.14E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

5

25 comp734-2 1.15E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

26 comp420-8 1.18E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

27 comp741-3 1.18E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

28 comp335-5 1.19E-06 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

29 comp733-5 1.21E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

30 comp510-5 1.21E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

31 comp639-2 1.22E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

32 comp661-5 1.25E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

33 comp216-1 1.26E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

34 comp749-8 1.26E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

35 comp300-7 1.27E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

36 comp669-6 1.28E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

37 comp745-0 1.29E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

38 comp227-2 1.31E-06 CSC[Si]12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

39 comp666-6 1.33E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

40 comp732-1 1.34E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

41 comp618-8 1.36E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

42 comp299-2 1.38E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

43 comp616-2 1.38E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

44 comp670-6 1.39E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

45 comp615-5 1.39E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

46 comp717-1 1.41E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

47 comp309-4 1.41E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

48 comp262-8 1.41E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

49 comp475-6 1.41E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

50 comp742-4 1.43E-06 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

51 comp135-3 1.44E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

52 comp624-1 1.45E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

53 comp650-5 1.45E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

54 comp224-5 1.46E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

55 comp631-7 1.47E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

56 comp408-8 1.47E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

57 comp743-3 1.49E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

58 comp622-5 1.49E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

59 comp603-2 1.49E-06 CSCC12[Ge](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

60 comp281-8 1.50E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

61 comp655-2 1.51E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

62 comp607-7 1.51E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

63 comp130-3 1.52E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

64 comp662-6 1.52E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

65 comp648-7 1.52E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

6

66 comp198-3 1.53E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)C[Ge]2(C)C

67 comp111-6 1.54E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

68 comp593-2 1.56E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

69 comp740-2 1.56E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

70 comp625-2 1.57E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

71 comp584-1 1.59E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

72 comp104-1 1.59E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

73 comp550-0 1.60E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

74 comp296-7 1.60E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

75 comp671-7 1.61E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

76 comp552-7 1.61E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

77 comp544-7 1.62E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

78 comp751-2 1.63E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

79 comp738-0 1.65E-06 CSC[Si]12[Ge](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

80 comp577-3 1.66E-06 CSCC12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

81 comp753-0 1.67E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

82 comp750-2 1.67E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

83 comp596-7 1.68E-06 CSCC12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

84 comp680-6 1.69E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

85 comp298-2 1.71E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

86 comp214-2 1.72E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

87 comp756-2 1.73E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

88 comp545-7 1.74E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

89 comp289-4 1.74E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

90 comp521-7 1.75E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

91 comp247-5 1.76E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

92 comp240-3 1.76E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

93 comp317-7 1.77E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

94 comp611-2 1.80E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

95 comp684-7 1.80E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

96 comp196-1 1.81E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

97 comp561-0 1.81E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

98 comp221-6 1.82E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

99 comp321-6 1.82E-06 CSCC12[Si](C)(C)CC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

100 comp402-2 1.82E-06 CSCC12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

101 comp553-8 1.83E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

102 comp417-1 1.83E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

103 comp229-1 1.85E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

104 comp210-4 1.85E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

105 comp246-6 1.87E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

106 comp86-3 1.87E-06 CSC[Si]12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

7

107 comp178-2 1.88E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

108 comp583-2 1.89E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

109 comp133-7 1.90E-06 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

110 comp311-8 1.91E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

111 comp636-5 1.92E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

112 comp585-7 1.92E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

113 comp527-1 1.92E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

114 comp663-2 1.93E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

115 comp737-3 1.94E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

116 comp121-2 1.94E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

117 comp644-5 1.95E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

118 comp310-7 1.96E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

119 comp467-2 1.97E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

120 comp276-5 1.98E-06 CSC[Si]1([Ge](C)(C)[Ge](C)(C)[Ge]2C[SH]2C)CC[Si](C)(C)C1

121 comp406-5 2.01E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

122 comp236-7 2.02E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

123 comp88-8 2.02E-06 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

124 comp762-6 2.02E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

125 comp676-5 2.03E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

126 comp646-5 2.03E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

127 comp752-2 2.03E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

128 comp331-1 2.04E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

129 comp23-0 2.04E-06 CSCC12CCC(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

130 comp142-4 2.05E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

131 comp441-3 2.06E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

132 comp422-2 2.07E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

133 comp736-6 2.07E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

134 comp658-8 2.07E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

135 comp448-1 2.09E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

136 comp619-2 2.13E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

137 comp564-3 2.13E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

138 comp83-7 2.13E-06 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

139 comp606-2 2.14E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

140 comp267-5 2.15E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

141 comp686-7 2.17E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

142 comp602-1 2.18E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

143 comp700-6 2.18E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

144 comp398-5 2.20E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

145 comp149-4 2.21E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

146 comp726-7 2.22E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

147 comp520-5 2.22E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

8

148 comp665-1 2.22E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

149 comp87-5 2.23E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

150 comp591-2 2.23E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

151 comp382-7 2.23E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

152 comp719-2 2.27E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

153 comp308-7 2.28E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

154 comp512-2 2.29E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

155 comp504-0 2.29E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

156 comp491-0 2.29E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

157 comp269-5 2.30E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

158 comp132-1 2.31E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

159 comp139-4 2.31E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

160 comp444-2 2.32E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

161 comp731-2 2.32E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

162 comp664-5 2.35E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

163 comp721-8 2.36E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

164 comp279-5 2.38E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

165 comp249-4 2.39E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

166 comp627-2 2.40E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

167 comp489-4 2.42E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

168 comp613-3 2.43E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

169 comp313-8 2.44E-06 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

170 comp758-4 2.45E-06 CSC[Si]12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

171 comp233-7 2.45E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

172 comp713-1 2.50E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

173 comp718-5 2.51E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

174 comp109-6 2.51E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

175 comp502-4 2.52E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

176 comp712-1 2.52E-06 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

177 comp678-1 2.52E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

178 comp426-7 2.54E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

179 comp301-8 2.54E-06 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

180 comp266-4 2.55E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

181 comp338-2 2.56E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

182 comp84-6 2.56E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

183 comp724-7 2.57E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

184 comp27-1 2.58E-06 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)C2

185 comp215-7 2.58E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

186 comp640-3 2.61E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

187 comp445-1 2.62E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

188 comp755-4 2.63E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

9

189 comp486-3 2.64E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

190 comp509-7 2.65E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

191 comp122-6 2.66E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

192 comp485-0 2.66E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

193 comp482-8 2.68E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

194 comp681-7 2.70E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

195 comp580-0 2.71E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

196 comp66-0 2.72E-06 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

197 comp654-0 2.72E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

198 comp614-5 2.73E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

199 comp131-8 2.74E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

200 comp511-3 2.74E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

201 comp701-8 2.76E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

202 comp617-5 2.76E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

203 comp303-2 2.76E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

204 comp231-0 2.77E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

205 comp673-5 2.79E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

206 comp488-4 2.79E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

207 comp563-7 2.79E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

208 comp539-2 2.79E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

209 comp177-2 2.81E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

210 comp498-1 2.82E-06 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

211 comp600-5 2.82E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

212 comp638-6 2.84E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

213 comp629-5 2.85E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

214 comp746-1 2.86E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

215 comp80-4 2.87E-06 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

216 comp761-2 2.87E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

217 comp623-4 2.87E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

218 comp437-1 2.88E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

219 comp336-4 2.89E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

220 comp411-2 2.91E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

221 comp350-7 2.93E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

222 comp518-7 2.93E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

223 comp451-2 2.94E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

224 comp481-1 2.94E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

225 comp360-8 2.95E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

226 comp461-8 2.97E-06 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

227 comp428-7 2.97E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

228 comp517-5 2.97E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

229 comp307-2 2.98E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

10

230 comp534-1 3.00E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

231 comp435-1 3.00E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

232 comp493-7 3.01E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

233 comp270-3 3.02E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

234 comp423-1 3.07E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

235 comp383-7 3.08E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

236 comp610-3 3.10E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

237 comp400-0 3.12E-06 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

238 comp568-2 3.13E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

239 comp706-1 3.13E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

240 comp567-0 3.16E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

241 comp621-5 3.19E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

242 comp284-8 3.20E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

243 comp632-7 3.21E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

244 comp608-5 3.22E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

245 comp453-6 3.23E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

246 comp677-7 3.23E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

247 comp234-2 3.23E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

248 comp760-6 3.23E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

249 comp601-4 3.27E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

250 comp388-6 3.27E-06 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

251 comp469-0 3.28E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

252 comp371-0 3.30E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

253 comp372-2 3.30E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

254 comp345-2 3.37E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

255 comp533-4 3.38E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

256 comp274-8 3.38E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

257 comp78-2 3.39E-06 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

258 comp588-5 3.43E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

259 comp472-2 3.47E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

260 comp707-5 3.49E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

261 comp432-8 3.51E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

262 comp682-1 3.54E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

263 comp492-5 3.56E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

264 comp487-5 3.56E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

265 comp259-2 3.58E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

266 comp652-6 3.59E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

267 comp170-2 3.61E-06 CSCC12[Si](C)(C)CC(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

268 comp218-5 3.65E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

269 comp148-0 3.65E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

270 comp252-3 3.65E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

11

271 comp90-7 3.65E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

272 comp93-6 3.65E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

273 comp264-1 3.66E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

274 comp211-1 3.68E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

275 comp413-7 3.72E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

276 comp725-2 3.77E-06 CSCC12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

277 comp220-7 3.78E-06 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

278 comp410-5 3.79E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

279 comp228-0 3.81E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

280 comp431-3 3.87E-06 CSC[Si]12C[Ge](C)([Si](C)(CSC)C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

281 comp649-1 3.87E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

282 comp620-3 3.88E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

283 comp589-7 3.89E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

284 comp99-3 3.89E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

285 comp672-5 3.89E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

286 comp379-2 3.90E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

287 comp158-6 3.91E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

288 comp70-2 3.91E-06 CSCC12CCC(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

289 comp427-5 3.92E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

290 comp651-1 3.96E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

291 comp595-2 3.96E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

292 comp470-5 3.97E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

293 comp386-8 3.98E-06 CSCC12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

294 comp541-1 3.98E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

295 comp425-7 3.98E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

296 comp107-0 3.98E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

297 comp522-8 3.98E-06 CSCC12[Ge](C)(C)C[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

298 comp667-2 3.99E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

299 comp295-5 4.01E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

300 comp494-0 4.04E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

301 comp429-2 4.04E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

302 comp339-6 4.04E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

303 comp514-3 4.05E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

304 comp641-3 4.05E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

305 comp465-3 4.06E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

306 comp458-7 4.06E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

307 comp506-2 4.08E-06 CSCC12[Ge](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

308 comp519-2 4.13E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

309 comp91-8 4.13E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

310 comp590-5 4.15E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

311 comp389-4 4.16E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

12

312 comp419-1 4.16E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

313 comp359-7 4.18E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

314 comp497-4 4.18E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

315 comp344-6 4.19E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

316 comp275-2 4.20E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

317 comp570-5 4.21E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

318 comp110-7 4.25E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

319 comp203-5 4.26E-06 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

320 comp282-4 4.29E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

321 comp277-3 4.29E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

322 comp280-7 4.31E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

323 comp355-3 4.37E-06 CSCC12[Si](C)(C)CC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

324 comp16-6 4.39E-06 CSCC12CCC(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

325 comp53-4 4.40E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)C[Si]2(C)C

326 comp126-8 4.42E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

327 comp351-3 4.42E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

328 comp85-4 4.42E-06 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

329 comp515-1 4.42E-06 CSCC12[Ge](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

330 comp168-1 4.44E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

331 comp385-4 4.44E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

332 comp367-8 4.46E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

333 comp212-0 4.47E-06 CSCC12CCC(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

334 comp653-4 4.49E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

335 comp418-8 4.49E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

336 comp575-1 4.50E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

337 comp430-3 4.51E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

338 comp237-2 4.56E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

339 comp319-3 4.56E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

340 comp40-0 4.59E-06 CSC[Si]12CC[Ge](CSC)(CC1)C[Ge]2(C)C

341 comp634-4 4.60E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

342 comp558-4 4.61E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

343 comp41-2 4.62E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

344 comp191-1 4.66E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

345 comp26-3 4.66E-06 CSC[Si]12CC[Si](CSC)(CC1)[Si](C)(C)C2

346 comp82-3 4.68E-06 CSC[Si]12CC[Si](CSC)(CC1)[Si](C)(C)[Si]2(C)C

347 comp524-6 4.72E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

348 comp141-5 4.72E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

349 comp365-1 4.76E-06 CSCC12[Si](C)(C)CC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

350 comp409-3 4.77E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

351 comp556-2 4.78E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

352 comp479-0 4.81E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

13

353 comp412-1 4.83E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

354 comp98-4 4.84E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

355 comp265-1 4.86E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

356 comp226-5 4.86E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

357 comp415-1 4.89E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

358 comp456-4 4.90E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

359 comp161-1 4.91E-06 CSCC12[Si](C)(C)CC(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

360 comp200-2 4.94E-06 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

361 comp626-7 4.95E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

362 comp108-1 4.99E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

363 comp363-8 5.00E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

364 comp535-2 5.01E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

365 comp222-4 5.02E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

366 comp450-6 5.02E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

367 comp366-2 5.03E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

368 comp457-7 5.05E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

369 comp503-8 5.05E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

370 comp574-4 5.06E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

371 comp609-4 5.09E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

372 comp711-2 5.12E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

373 comp333-6 5.13E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

374 comp144-1 5.15E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

375 comp513-6 5.16E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

376 comp327-6 5.19E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

377 comp261-4 5.19E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

378 comp106-4 5.24E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

379 comp407-5 5.26E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

380 comp727-0 5.27E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

381 comp581-0 5.27E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

382 comp500-3 5.30E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

383 comp94-1 5.31E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

384 comp628-8 5.31E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

385 comp157-6 5.33E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

386 comp263-4 5.36E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

387 comp328-3 5.39E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

388 comp586-3 5.42E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

389 comp605-4 5.44E-06 CSCC12[Ge](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

390 comp129-0 5.45E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

391 comp438-8 5.46E-06 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

392 comp67-1 5.47E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

393 comp219-1 5.52E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

14

394 comp637-8 5.54E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

395 comp349-6 5.58E-06 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

396 comp258-5 5.58E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

397 comp587-8 5.59E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

398 comp635-3 5.59E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

399 comp152-3 5.59E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

400 comp395-6 5.60E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

401 comp659-0 5.62E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

402 comp405-4 5.63E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

403 comp241-2 5.65E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

404 comp102-5 5.70E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

405 comp642-0 5.74E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

406 comp337-3 5.74E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

407 comp643-5 5.75E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

408 comp767-2 5.81E-06 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

409 comp223-8 5.83E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

410 comp531-4 5.88E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

411 comp660-8 5.89E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

412 comp490-2 5.89E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

413 comp685-4 5.90E-06 CSCC12[Ge](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

414 comp576-2 5.94E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

415 comp29-3 5.95E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

416 comp43-3 5.99E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

417 comp58-6 6.00E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

418 comp397-2 6.02E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

419 comp633-6 6.05E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

420 comp288-7 6.06E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

421 comp244-7 6.06E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

422 comp189-6 6.06E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

423 comp599-0 6.11E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

424 comp496-6 6.11E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

425 comp37-0 6.16E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

426 comp251-0 6.17E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

427 comp239-8 6.23E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

428 comp689-2 6.24E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

429 comp361-8 6.24E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

430 comp555-1 6.27E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

431 comp97-3 6.27E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

432 comp256-3 6.29E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

433 comp283-1 6.29E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

434 comp728-1 6.30E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

15

435 comp195-4 6.30E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

436 comp463-3 6.31E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

437 comp197-0 6.31E-06 CSCC12CCC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

438 comp394-2 6.33E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

439 comp551-1 6.33E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

440 comp123-3 6.34E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

441 comp140-4 6.35E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

442 comp125-2 6.39E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

443 comp278-6 6.41E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

444 comp260-7 6.41E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

445 comp526-8 6.42E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

446 comp77-6 6.44E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

447 comp483-6 6.46E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

448 comp305-0 6.49E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

449 comp243-4 6.49E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

450 comp159-8 6.54E-06 CSCC12CCC(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

451 comp134-5 6.56E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

452 comp46-7 6.64E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)C2

453 comp694-2 6.64E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

454 comp572-8 6.64E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

455 comp194-6 6.65E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

456 comp33-6 6.65E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

457 comp476-8 6.71E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

458 comp39-0 6.72E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

459 comp730-6 6.72E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

460 comp473-3 6.81E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

461 comp119-4 6.83E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

462 comp179-0 6.83E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

463 comp452-1 6.86E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

464 comp272-7 6.87E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

465 comp525-3 6.88E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

466 comp508-8 6.92E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

467 comp565-6 6.93E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

468 comp557-3 6.93E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

469 comp714-4 6.96E-06 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

470 comp474-8 6.97E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

471 comp248-0 6.98E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

472 comp315-3 6.98E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

473 comp65-3 6.99E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

474 comp449-1 7.00E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

475 comp217-4 7.01E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

16

476 comp630-8 7.03E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

477 comp245-6 7.08E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

478 comp729-0 7.09E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

479 comp393-6 7.10E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

480 comp439-3 7.11E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

481 comp421-3 7.11E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

482 comp455-1 7.15E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

483 comp647-4 7.18E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

484 comp137-3 7.19E-06 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

485 comp105-4 7.23E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

486 comp695-2 7.24E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

487 comp698-1 7.26E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

488 comp50-2 7.28E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

489 comp347-2 7.30E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

490 comp225-6 7.32E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

491 comp128-6 7.36E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

492 comp56-0 7.36E-06 CSCC12CCC(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

493 comp34-1 7.37E-06 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

494 comp516-6 7.39E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

495 comp182-7 7.41E-06 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

496 comp103-1 7.49E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

497 comp346-7 7.53E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

498 comp668-1 7.54E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

499 comp124-7 7.66E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

500 comp57-5 7.66E-06 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

501 comp213-5 7.68E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

502 comp477-1 7.71E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

503 comp253-3 7.72E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

504 comp285-4 7.75E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

505 comp546-2 7.76E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

506 comp42-6 7.77E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

507 comp202-7 7.80E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

508 comp507-6 7.84E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

509 comp340-8 7.86E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

510 comp47-6 7.87E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

511 comp304-8 7.92E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

512 comp204-5 7.92E-06 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

513 comp446-5 7.96E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

514 comp468-8 7.96E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

515 comp312-0 7.99E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

516 comp390-6 8.00E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

17

517 comp318-4 8.03E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

518 comp716-6 8.04E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

519 comp571-1 8.07E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

520 comp81-2 8.09E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

521 comp696-7 8.10E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

522 comp597-8 8.11E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

523 comp48-4 8.13E-06 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

524 comp442-4 8.14E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

525 comp739-0 8.20E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

526 comp705-6 8.30E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

527 comp302-2 8.35E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

528 comp172-8 8.37E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

529 comp530-3 8.37E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

530 comp165-6 8.43E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

531 comp471-1 8.45E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

532 comp64-4 8.49E-06 CSCC12C[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

533 comp466-1 8.49E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

534 comp268-2 8.53E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

535 comp255-6 8.55E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

536 comp293-3 8.57E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

537 comp699-1 8.65E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

538 comp287-1 8.65E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

539 comp703-2 8.65E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

540 comp326-6 8.72E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

541 comp594-5 8.72E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

542 comp150-6 8.72E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

543 comp294-6 8.78E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

544 comp36-0 8.84E-06 CSC[Si]12CC[Ge](CSC)(CC1)C[Si]2(C)C

545 comp723-2 8.85E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

546 comp460-7 8.85E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

547 comp101-0 8.86E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

548 comp71-7 8.86E-06 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

549 comp548-8 8.93E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

550 comp291-8 8.94E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

551 comp702-2 8.96E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

552 comp73-3 8.97E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

553 comp235-2 9.00E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

554 comp554-3 9.01E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

555 comp112-3 9.02E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

556 comp764-0 9.06E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

557 comp566-8 9.07E-06 CSC[Ge]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

18

558 comp375-4 9.08E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

559 comp399-4 9.11E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

560 comp62-1 9.11E-06 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

561 comp21-3 9.12E-06 CSCC12CC[Ge](CSC)(CC1)C[Ge]2(C)C

562 comp205-4 9.13E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

563 comp709-5 9.27E-06 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

564 comp433-2 9.28E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

565 comp147-5 9.29E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

566 comp769-3 9.32E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

567 comp771-4 9.39E-06 CSC[Ge]12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

568 comp96-6 9.39E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

569 comp8-8 9.46E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)C2

570 comp184-5 9.48E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

571 comp230-4 9.50E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

572 comp35-6 9.53E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

573 comp120-6 9.62E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

574 comp559-2 9.64E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

575 comp89-1 9.69E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

576 comp0-6 9.69E-06 CSCC12CCC(CSC)(CC1)CC2

577 comp377-4 9.71E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

578 comp30-1 9.72E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)[Si]2(C)C

579 comp562-5 9.77E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

580 comp569-1 9.82E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

581 comp537-8 9.85E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

582 comp334-4 9.95E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

583 comp348-2 9.99E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

584 comp273-2 1.00E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

585 comp10-5 1.01E-05 CSCC12CC[Si](CSC)(CC1)C[Ge]2(C)C

586 comp169-8 1.01E-05 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

587 comp117-8 1.02E-05 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

588 comp592-0 1.03E-05 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

589 comp687-1 1.03E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

590 comp443-8 1.04E-05 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

591 comp12-0 1.04E-05 CSCC12CCC(CSC)(C[Si]1(C)C)[Si](C)(C)C2

592 comp154-6 1.04E-05 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

593 comp690-0 1.06E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

594 comp100-2 1.06E-05 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

595 comp68-2 1.06E-05 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

596 comp582-6 1.06E-05 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

597 comp79-3 1.07E-05 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

598 comp532-2 1.08E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

19

599 comp674-6 1.08E-05 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

600 comp536-2 1.09E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

601 comp708-7 1.09E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

602 comp113-7 1.09E-05 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

603 comp380-6 1.09E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

604 comp598-6 1.10E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

605 comp464-1 1.11E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

606 comp368-2 1.11E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

607 comp547-3 1.11E-05 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

608 comp387-1 1.11E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

609 comp440-2 1.11E-05 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

610 comp542-1 1.12E-05 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

611 comp325-7 1.13E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

612 comp51-8 1.13E-05 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Si](C)(C)C2

613 comp320-8 1.14E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

614 comp11-6 1.14E-05 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)C2

615 comp459-0 1.15E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

616 comp404-8 1.15E-05 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

617 comp183-5 1.16E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

618 comp95-7 1.16E-05 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

619 comp579-6 1.19E-05 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

620 comp768-2 1.20E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

621 comp193-8 1.21E-05 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

622 comp381-1 1.21E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

623 comp656-2 1.22E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

624 comp28-3 1.23E-05 CSCC12CC[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

625 comp290-5 1.23E-05 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

626 comp306-1 1.24E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

627 comp155-6 1.25E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

628 comp114-0 1.25E-05 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

629 comp691-3 1.25E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

630 comp6-2 1.27E-05 CSC[Si]12CC[Si](CSC)(CC1)CC2

631 comp60-5 1.27E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

632 comp342-0 1.28E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

633 comp364-2 1.28E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

634 comp156-1 1.28E-05 CSCC12C[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

635 comp208-8 1.29E-05 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

636 comp44-4 1.29E-05 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

637 comp316-5 1.29E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

638 comp54-8 1.29E-05 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)C2

639 comp136-2 1.30E-05 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

20

640 comp92-4 1.30E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

641 comp770-0 1.31E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

642 comp61-7 1.34E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

643 comp32-0 1.34E-05 CSCC12CC[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

644 comp704-5 1.34E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

645 comp188-4 1.35E-05 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

646 comp138-7 1.35E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

647 comp201-4 1.36E-05 CSC[Ge]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

648 comp765-1 1.36E-05 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

649 comp257-0 1.36E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

650 comp180-1 1.37E-05 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

651 comp391-2 1.38E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

652 comp353-0 1.38E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

653 comp72-5 1.39E-05 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

654 comp45-1 1.41E-05 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

655 comp146-5 1.42E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

656 comp314-1 1.42E-05 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

657 comp324-2 1.42E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

658 comp528-8 1.43E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

659 comp697-5 1.44E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

660 comp192-4 1.44E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

661 comp74-2 1.46E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

662 comp403-2 1.47E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

663 comp604-4 1.49E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

664 comp206-6 1.49E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

665 comp15-6 1.50E-05 CSCC12CC[Ge](CSC)(CC1)C[Si]2(C)C

666 comp176-3 1.52E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

667 comp358-7 1.52E-05 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

668 comp766-0 1.54E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

669 comp322-5 1.54E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

670 comp7-4 1.55E-05 CSCC12CC[Si](CSC)(CC1)C[Si]2(C)C

671 comp329-1 1.55E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

672 comp354-2 1.56E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

673 comp22-0 1.59E-05 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

674 comp75-4 1.59E-05 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

675 comp384-3 1.60E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

676 comp370-2 1.61E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

677 comp38-6 1.62E-05 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

678 comp688-5 1.62E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

679 comp416-0 1.62E-05 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

680 comp254-8 1.63E-05 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

21

681 comp31-3 1.63E-05 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)C2

682 comp174-5 1.67E-05 CSC[Ge]12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

683 comp153-2 1.68E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

684 comp715-3 1.69E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

685 comp722-4 1.70E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

686 comp187-4 1.76E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

687 comp25-7 1.76E-05 CSCC12CCC(CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

688 comp127-5 1.76E-05 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

689 comp505-3 1.77E-05 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

690 comp357-2 1.78E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

691 comp692-5 1.78E-05 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

692 comp115-4 1.79E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

693 comp151-8 1.81E-05 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

694 comp118-6 1.81E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

695 comp356-3 1.82E-05 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

696 comp116-2 1.83E-05 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

697 comp164-3 1.83E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

698 comp710-5 1.83E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

699 comp76-6 1.84E-05 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

700 comp343-4 1.85E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

701 comp52-7 1.86E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

702 comp297-5 1.86E-05 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

703 comp573-8 1.89E-05 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

704 comp232-0 1.90E-05 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

705 comp292-8 1.91E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

706 comp2-6 1.92E-05 CSCC12CC[Si](CSC)(CC1)CC2

707 comp190-4 1.92E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

708 comp693-0 1.94E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

709 comp401-3 1.95E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

710 comp185-3 1.97E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

711 comp447-3 2.00E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

712 comp207-2 2.00E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

713 comp186-4 2.01E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

714 comp396-6 2.02E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

715 comp378-5 2.02E-05 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

716 comp175-7 2.03E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

717 comp167-0 2.04E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

718 comp560-8 2.07E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

719 comp376-4 2.17E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

720 comp14-4 2.24E-05 CSCC12CCC(CSC)(CC1)[Si](C)(C)[Si]2(C)C

721 comp323-2 2.25E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

22

722 comp759-2 2.25E-05 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

723 comp523-5 2.27E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

724 comp181-4 2.27E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

725 comp332-2 2.28E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

726 comp69-0 2.33E-05 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

727 comp55-7 2.37E-05 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

728 comp374-4 2.38E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

729 comp5-2 2.39E-05 CSCC12CCC(CSC)(CC1)[Ge](C)(C)C2

730 comp166-6 2.51E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

731 comp24-2 2.55E-05 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

732 comp17-2 2.59E-05 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)C2

733 comp3-1 2.60E-05 CSCC12CCC(CSC)(CC1)[Si](C)(C)C2

734 comp13-4 2.60E-05 CSCC12CCC(CSC)([Si](C)(C)C1)[Si](C)(C)C2

735 comp501-4 2.63E-05 CSCC12C[Si](C)([Si](C)(CSC)[Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

736 comp143-8 2.76E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

737 comp63-3 2.78E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

738 comp286-8 2.86E-05 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

739 comp19-5 2.88E-05 CSCC12CCC(CSC)(CC1)[Ge](C)(C)[Si]2(C)C

740 comp543-1 3.05E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

741 comp9-3 3.07E-05 CSC[Si]12CC[Ge](CSC)(CC1)CC2

742 comp59-8 3.10E-05 CSC[Ge]12CC[Ge](CSC)(CC1)[Si](C)(C)C2

743 comp250-7 3.18E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

744 comp162-7 3.22E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

745 comp160-0 3.26E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

746 comp171-1 3.32E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

747 comp495-5 3.35E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

748 comp199-3 3.36E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

749 comp352-1 3.57E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

750 comp271-1 3.58E-05 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

751 comp549-4 3.59E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

752 comp163-1 3.72E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

753 comp209-8 3.96E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

754 comp462-5 4.03E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

755 comp18-2 4.05E-05 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)C2

756 comp484-5 4.10E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

757 comp369-8 4.11E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

758 comp49-4 4.27E-05 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

759 comp20-3 4.36E-05 CSC[Ge]12CC[Ge](CSC)(CC1)CC2

760 comp480-5 5.03E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

761 comp424-7 5.37E-05 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

762 comp4-8 5.47E-05 CSCC12CC[Ge](CSC)(CC1)CC2

23

763 comp499-8 5.54E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

764 comp341-8 5.55E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

765 comp330-4 5.88E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

766 comp392-4 6.22E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

767 comp145-8 6.35E-05 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

768 comp173-8 6.50E-05 CSCC12CCC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

769 comp242-1 7.02E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

770 comp238-1 7.13E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

771 comp373-5 8.81E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C Table 2. Molecules sorted by lowest transmission between –1.5 and 1.5 eV.

Rank Name TMin SMILES

1 comp260-7 1.12E-07 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

2 comp216-4 1.20E-07 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

3 comp731-4 1.26E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

4 comp320-8 1.33E-07 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

5 comp214-8 1.50E-07 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

6 comp239-8 1.50E-07 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

7 comp706-1 1.67E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

8 comp270-3 1.75E-07 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

9 comp261-4 1.89E-07 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

10 comp739-8 1.89E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

11 comp301-8 2.19E-07 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

12 comp231-4 2.38E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

13 comp223-8 2.39E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

14 comp719-2 2.41E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

15 comp699-1 2.45E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

16 comp451-2 2.45E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

17 comp108-1 2.48E-07 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

18 comp475-6 2.48E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

19 comp189-6 2.54E-07 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

20 comp222-4 2.57E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

21 comp761-2 2.57E-07 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

22 comp644-6 2.59E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

23 comp558-4 2.83E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

24 comp675-5 2.88E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

25 comp431-3 2.89E-07 CSC[Si]12C[Ge](C)([Si](C)(CSC)C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

26 comp488-4 2.93E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

27 comp696-7 2.98E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

28 comp172-8 3.02E-07 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

29 comp152-3 3.07E-07 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

24

30 comp590-5 3.12E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

31 comp687-2 3.17E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

32 comp702-2 3.18E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

33 comp489-4 3.23E-07 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

34 comp265-1 3.28E-07 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

35 comp381-1 3.29E-07 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

36 comp690-0 3.36E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

37 comp720-2 3.47E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

38 comp482-2 3.50E-07 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

39 comp220-7 3.52E-07 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

40 comp641-3 3.60E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

41 comp695-2 3.60E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

42 comp639-2 3.60E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

43 comp673-6 3.62E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

44 comp692-5 3.62E-07 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

45 comp453-6 3.64E-07 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

46 comp747-8 3.68E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

47 comp234-2 3.73E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

48 comp751-7 3.74E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

49 comp612-8 3.79E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

50 comp448-6 3.80E-07 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

51 comp713-1 3.85E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

52 comp760-6 3.89E-07 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

53 comp123-1 3.90E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

54 comp131-8 3.91E-07 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

55 comp252-3 3.92E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

56 comp313-8 3.92E-07 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

57 comp237-2 3.97E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

58 comp648-5 4.15E-07 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

59 comp631-7 4.22E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

60 comp134-5 4.27E-07 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

61 comp654-0 4.29E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

62 comp85-4 4.29E-07 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

63 comp763-2 4.34E-07 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

64 comp746-3 4.38E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

65 comp726-7 4.40E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

66 comp578-8 4.42E-07 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

67 comp405-4 4.43E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

68 comp343-4 4.45E-07 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

69 comp177-2 4.50E-07 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

70 comp435-1 4.51E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

25

71 comp683-6 4.54E-07 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

72 comp336-4 4.56E-07 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

73 comp224-8 4.62E-07 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

74 comp703-2 4.65E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

75 comp586-3 4.66E-07 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

76 comp669-6 4.66E-07 CSC[Si]12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

77 comp527-1 4.69E-07 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

78 comp657-6 4.73E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

79 comp600-5 4.75E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

80 comp378-5 4.80E-07 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

81 comp283-1 4.86E-07 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

82 comp701-5 4.89E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

83 comp709-5 4.90E-07 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

84 comp82-3 4.93E-07 CSC[Si]12CC[Si](CSC)(CC1)[Si](C)(C)[Si]2(C)C

85 comp652-6 4.95E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

86 comp274-8 5.01E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

87 comp245-6 5.03E-07 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

88 comp565-6 5.04E-07 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

89 comp599-0 5.06E-07 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

90 comp712-2 5.11E-07 CSC[Ge]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

91 comp735-8 5.14E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

92 comp742-4 5.18E-07 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

93 comp332-2 5.36E-07 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

94 comp749-4 5.37E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

95 comp269-1 5.41E-07 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

96 comp745-0 5.45E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

97 comp748-7 5.49E-07 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

98 comp767-2 5.51E-07 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

99 comp633-6 5.51E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

100 comp218-5 5.54E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

101 comp679-6 5.57E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

102 comp264-1 5.61E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

103 comp629-5 5.64E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

104 comp498-4 5.66E-07 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

105 comp136-2 5.70E-07 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

106 comp124-5 5.70E-07 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

107 comp607-4 5.70E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

108 comp452-1 5.72E-07 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

109 comp522-8 5.82E-07 CSCC12[Ge](C)(C)C[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

110 comp627-2 5.87E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

111 comp545-7 5.95E-07 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

26

112 comp548-8 5.97E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

113 comp344-6 5.99E-07 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

114 comp203-5 6.02E-07 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

115 comp42-5 6.02E-07 CSCC12CC[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

116 comp241-2 6.03E-07 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

117 comp533-4 6.06E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

118 comp46-7 6.09E-07 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)C2

119 comp262-8 6.16E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

120 comp762-6 6.20E-07 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

121 comp589-7 6.23E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

122 comp236-7 6.25E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

123 comp661-5 6.27E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

124 comp662-6 6.27E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

125 comp213-5 6.38E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

126 comp155-6 6.39E-07 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

127 comp645-3 6.39E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

128 comp420-8 6.39E-07 CSC[Si]12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

129 comp149-4 6.39E-07 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

130 comp141-5 6.41E-07 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

131 comp88-1 6.46E-07 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

132 comp605-4 6.56E-07 CSCC12[Ge](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

133 comp510-5 6.76E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

134 comp655-2 6.80E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

135 comp680-6 6.90E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

136 comp540-0 6.92E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

137 comp307-2 6.94E-07 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

138 comp122-6 6.99E-07 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

139 comp86-3 7.02E-07 CSC[Si]12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

140 comp714-4 7.05E-07 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

141 comp444-2 7.11E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

142 comp567-7 7.14E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

143 comp733-5 7.15E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

144 comp345-2 7.19E-07 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

145 comp103-1 7.22E-07 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

146 comp638-6 7.23E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

147 comp525-3 7.24E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

148 comp266-4 7.24E-07 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

149 comp759-2 7.27E-07 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

150 comp665-1 7.31E-07 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

151 comp240-3 7.43E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

152 comp670-6 7.44E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

27

153 comp551-1 7.44E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

154 comp178-2 7.45E-07 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

155 comp470-5 7.45E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

156 comp371-0 7.48E-07 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

157 comp182-7 7.48E-07 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

158 comp663-2 7.49E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

159 comp333-6 7.53E-07 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

160 comp226-5 7.55E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

161 comp438-8 7.62E-07 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

162 comp734-2 7.65E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

163 comp362-4 7.66E-07 CSCC12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

164 comp84-6 7.67E-07 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

165 comp281-8 7.73E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

166 comp646-5 7.76E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

167 comp215-2 7.76E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

168 comp463-3 7.77E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

169 comp736-6 7.79E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

170 comp636-8 7.81E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

171 comp409-3 7.84E-07 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

172 comp678-1 7.86E-07 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

173 comp32-8 7.89E-07 CSCC12CC[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

174 comp358-7 7.89E-07 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

175 comp247-5 7.92E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

176 comp537-8 7.92E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

177 comp741-3 7.92E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

178 comp379-2 7.93E-07 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

179 comp382-7 7.94E-07 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

180 comp414-7 7.98E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

181 comp529-1 7.98E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

182 comp544-7 8.01E-07 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

183 comp200-2 8.03E-07 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

184 comp423-1 8.04E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

185 comp410-5 8.06E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

186 comp658-8 8.07E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

187 comp87-5 8.12E-07 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

188 comp512-2 8.17E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

189 comp568-5 8.17E-07 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

190 comp83-7 8.19E-07 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

191 comp538-5 8.24E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

192 comp299-2 8.31E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

193 comp532-2 8.33E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

28

194 comp682-1 8.34E-07 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

195 comp308-7 8.39E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

196 comp469-0 8.39E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

197 comp383-7 8.39E-07 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

198 comp575-1 8.42E-07 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

199 comp624-1 8.47E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

200 comp246-6 8.48E-07 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

201 comp359-7 8.50E-07 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

202 comp221-6 8.51E-07 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

203 comp640-8 8.61E-07 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

204 comp750-2 8.66E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

205 comp461-8 8.69E-07 CSCC12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

206 comp743-5 8.74E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

207 comp397-2 8.88E-07 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

208 comp372-2 8.91E-07 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

209 comp132-2 8.92E-07 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

210 comp584-1 8.97E-07 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

211 comp606-2 8.98E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

212 comp517-5 9.00E-07 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

213 comp422-1 9.02E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

214 comp277-3 9.02E-07 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

215 comp335-5 9.03E-07 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

216 comp228-0 9.04E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

217 comp754-1 9.05E-07 CSC[Si]12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

218 comp497-4 9.07E-07 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

219 comp560-1 9.09E-07 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

220 comp744-3 9.16E-07 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

221 comp478-3 9.28E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

222 comp436-1 9.29E-07 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

223 comp146-5 9.40E-07 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

224 comp437-1 9.49E-07 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

225 comp486-3 9.50E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

226 comp615-8 9.51E-07 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

227 comp139-4 9.52E-07 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

228 comp593-2 9.54E-07 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

229 comp511-3 9.59E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

230 comp757-1 9.60E-07 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

231 comp591-8 9.61E-07 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

232 comp618-8 9.62E-07 CSC[Si]12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

233 comp101-0 9.64E-07 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

234 comp434-2 9.65E-07 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

29

235 comp500-5 9.65E-07 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

236 comp603-2 9.68E-07 CSCC12[Ge](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

237 comp572-8 9.69E-07 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

238 comp616-2 9.70E-07 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

239 comp504-0 9.73E-07 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

240 comp577-3 9.90E-07 CSCC12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

241 comp400-0 9.94E-07 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

242 comp441-3 9.97E-07 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

243 comp596-7 1.00E-06 CSCC12[Ge](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

244 comp104-1 1.01E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

245 comp398-5 1.01E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

246 comp248-0 1.01E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

247 comp310-0 1.01E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

248 comp408-8 1.01E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

249 comp454-1 1.02E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

250 comp399-4 1.02E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

251 comp256-4 1.02E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

252 comp389-2 1.03E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

253 comp117-3 1.03E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

254 comp471-1 1.03E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

255 comp5-2 1.03E-06 CSCC12CCC(CSC)(CC1)[Ge](C)(C)C2

256 comp717-1 1.03E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

257 comp676-5 1.03E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

258 comp411-1 1.04E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

259 comp672-5 1.04E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

260 comp133-7 1.04E-06 CSCC12[Ge](C)(C)C[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

261 comp573-1 1.04E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

262 comp550-0 1.07E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

263 comp485-0 1.08E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

264 comp426-7 1.08E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

265 comp649-1 1.08E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

266 comp227-2 1.09E-06 CSC[Si]12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

267 comp142-4 1.11E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

268 comp566-8 1.11E-06 CSC[Ge]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

269 comp233-7 1.11E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

270 comp259-2 1.12E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

271 comp289-4 1.12E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

272 comp406-5 1.13E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

273 comp611-2 1.13E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

274 comp685-4 1.14E-06 CSCC12[Ge](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

275 comp363-8 1.14E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

30

276 comp196-1 1.15E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

277 comp317-7 1.16E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

278 comp718-5 1.16E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

279 comp380-6 1.16E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

280 comp429-2 1.17E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

281 comp732-1 1.18E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

282 comp561-0 1.19E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

283 comp417-1 1.19E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

284 comp425-6 1.19E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

285 comp340-8 1.19E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

286 comp604-4 1.19E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

287 comp553-8 1.20E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

288 comp198-3 1.20E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)C[Ge]2(C)C

289 comp602-1 1.20E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

290 comp622-5 1.21E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

291 comp650-5 1.21E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

292 comp625-2 1.21E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

293 comp298-2 1.22E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

294 comp388-6 1.22E-06 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

295 comp521-7 1.23E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

296 comp491-0 1.23E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

297 comp275-2 1.24E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

298 comp588-5 1.24E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

299 comp459-0 1.25E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

300 comp740-2 1.25E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

301 comp229-1 1.25E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

302 comp111-6 1.26E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

303 comp300-7 1.26E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

304 comp492-0 1.27E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

305 comp90-7 1.27E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

306 comp285-4 1.27E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

307 comp651-3 1.28E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

308 comp509-7 1.28E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

309 comp621-5 1.28E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

310 comp125-6 1.29E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

311 comp543-1 1.29E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

312 comp326-2 1.30E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

313 comp316-5 1.30E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

314 comp309-4 1.30E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

315 comp547-3 1.30E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

316 comp592-2 1.30E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

31

317 comp700-6 1.31E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

318 comp582-6 1.31E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

319 comp296-7 1.31E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

320 comp666-6 1.32E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

321 comp370-2 1.33E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

322 comp57-5 1.34E-06 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

323 comp154-4 1.35E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

324 comp158-6 1.35E-06 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

325 comp518-7 1.35E-06 CSC[Si]12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

326 comp552-7 1.37E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

327 comp109-6 1.37E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

328 comp737-3 1.37E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

329 comp350-7 1.38E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

330 comp549-6 1.38E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

331 comp447-3 1.38E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

332 comp430-3 1.40E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

333 comp502-4 1.40E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

334 comp738-0 1.43E-06 CSC[Si]12[Ge](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

335 comp632-7 1.44E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

336 comp135-3 1.44E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

337 comp465-3 1.47E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

338 comp318-2 1.47E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

339 comp130-3 1.52E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

340 comp412-1 1.52E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

341 comp583-3 1.52E-06 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

342 comp503-8 1.52E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

343 comp614-5 1.53E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

344 comp334-4 1.53E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

345 comp419-7 1.54E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

346 comp458-7 1.54E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

347 comp244-7 1.54E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

348 comp671-7 1.55E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

349 comp428-4 1.56E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

350 comp755-4 1.56E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

351 comp686-7 1.57E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

352 comp349-6 1.57E-06 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

353 comp71-7 1.57E-06 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

354 comp27-1 1.60E-06 CSC[Si]12CC[Si](CSC)(CC1)[Ge](C)(C)C2

355 comp753-0 1.62E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

356 comp3-1 1.65E-06 CSCC12CCC(CSC)(CC1)[Si](C)(C)C2

357 comp564-3 1.66E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

32

358 comp585-7 1.66E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

359 comp258-5 1.67E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

360 comp756-2 1.68E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

361 comp684-7 1.70E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

362 comp402-2 1.71E-06 CSCC12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

363 comp80-4 1.73E-06 CSC[Si]12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

364 comp505-3 1.73E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

365 comp347-2 1.73E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

366 comp571-1 1.76E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

367 comp99-3 1.77E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

368 comp557-3 1.78E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

369 comp210-4 1.79E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

370 comp427-5 1.81E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

371 comp725-2 1.82E-06 CSCC12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

372 comp321-6 1.82E-06 CSCC12[Si](C)(C)CC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

373 comp279-5 1.83E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

374 comp267-5 1.83E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

375 comp249-4 1.86E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

376 comp311-8 1.87E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

377 comp432-8 1.88E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

378 comp290-5 1.89E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

379 comp295-5 1.90E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

380 comp276-5 1.90E-06 CSC[Si]1([Ge](C)(C)[Ge](C)(C)[Ge]2C[SH]2C)CC[Si](C)(C)C1

381 comp360-8 1.91E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

382 comp619-2 1.92E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

383 comp303-2 1.92E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

384 comp623-4 1.92E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

385 comp121-2 1.92E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

386 comp107-0 1.94E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

387 comp494-0 1.94E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

388 comp421-3 1.95E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

389 comp467-2 1.95E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

390 comp570-5 1.96E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

391 comp331-1 1.97E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

392 comp23-0 1.97E-06 CSCC12CCC(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

393 comp170-2 1.97E-06 CSCC12[Si](C)(C)CC(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

394 comp752-2 1.98E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

395 comp304-7 1.99E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

396 comp664-5 2.00E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

397 comp195-4 2.01E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

398 comp667-2 2.01E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

33

399 comp581-0 2.08E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

400 comp514-0 2.11E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

401 comp681-7 2.11E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

402 comp91-8 2.11E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

403 comp105-4 2.15E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

404 comp413-7 2.17E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

405 comp520-5 2.22E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

406 comp721-8 2.22E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

407 comp148-0 2.27E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

408 comp10-5 2.27E-06 CSCC12CC[Si](CSC)(CC1)C[Ge]2(C)C

409 comp280-7 2.27E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

410 comp563-7 2.30E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

411 comp129-0 2.31E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

412 comp338-2 2.33E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

413 comp278-2 2.33E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

414 comp53-4 2.33E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)C[Si]2(C)C

415 comp110-7 2.34E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

416 comp325-8 2.35E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

417 comp161-1 2.37E-06 CSCC12[Si](C)(C)CC(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

418 comp51-8 2.38E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Si](C)(C)C2

419 comp445-1 2.39E-06 CSCC12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

420 comp302-4 2.39E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

421 comp144-1 2.42E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

422 comp100-2 2.42E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

423 comp613-3 2.42E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

424 comp25-7 2.43E-06 CSCC12CCC(CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

425 comp626-0 2.44E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

426 comp365-1 2.44E-06 CSCC12[Si](C)(C)CC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

427 comp93-6 2.44E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)C[Ge]2(C)C

428 comp291-8 2.44E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

429 comp758-4 2.45E-06 CSC[Si]12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

430 comp559-2 2.47E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

431 comp140-4 2.48E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

432 comp601-4 2.53E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

433 comp12-0 2.56E-06 CSCC12CCC(CSC)(C[Si]1(C)C)[Si](C)(C)C2

434 comp724-7 2.56E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

435 comp351-3 2.56E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

436 comp34-1 2.57E-06 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

437 comp355-1 2.57E-06 CSCC12[Si](C)(C)CC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

438 comp677-7 2.59E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

439 comp580-0 2.59E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

34

440 comp168-1 2.62E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

441 comp7-4 2.62E-06 CSCC12CC[Si](CSC)(CC1)C[Si]2(C)C

442 comp137-3 2.64E-06 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

443 comp617-5 2.64E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

444 comp97-3 2.66E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

445 comp66-0 2.70E-06 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

446 comp433-2 2.74E-06 CSC[Si]12CC[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

447 comp193-8 2.77E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

448 comp284-8 2.78E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

449 comp539-2 2.78E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

450 comp526-8 2.81E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

451 comp479-0 2.81E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

452 comp102-5 2.89E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

453 comp493-7 2.90E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

454 comp78-2 2.91E-06 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

455 comp361-8 2.92E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

456 comp65-3 2.92E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

457 comp481-1 2.94E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

458 comp319-8 2.95E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

459 comp534-1 2.97E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

460 comp496-6 2.98E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

461 comp45-3 2.98E-06 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

462 comp610-3 2.98E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

463 comp327-6 3.00E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

464 comp524-4 3.02E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

465 comp225-2 3.03E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

466 comp346-7 3.03E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

467 comp73-3 3.04E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

468 comp328-3 3.07E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

469 comp653-4 3.09E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

470 comp77-4 3.11E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

471 comp337-3 3.15E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

472 comp43-3 3.16E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

473 comp354-2 3.16E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

474 comp386-8 3.17E-06 CSCC12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

475 comp175-7 3.19E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

476 comp395-6 3.21E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

477 comp113-7 3.21E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

478 comp608-5 3.22E-06 CSC[Si]12[Si](C)(C)C[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

479 comp219-3 3.25E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

480 comp94-1 3.35E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

35

481 comp64-4 3.35E-06 CSCC12C[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

482 comp487-5 3.39E-06 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

483 comp634-4 3.42E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

484 comp707-5 3.44E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

485 comp466-1 3.45E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

486 comp628-1 3.45E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

487 comp211-1 3.45E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

488 comp329-1 3.45E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

489 comp711-2 3.46E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

490 comp472-2 3.46E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

491 comp54-8 3.47E-06 CSCC12C[Si](C)(C)C(CSC)([Si](C)(C)C1)[Ge](C)(C)C2

492 comp114-0 3.49E-06 CSCC12CC[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

493 comp390-6 3.49E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

494 comp192-4 3.50E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

495 comp689-2 3.50E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

496 comp98-4 3.52E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

497 comp477-1 3.54E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

498 comp212-0 3.56E-06 CSCC12CCC(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

499 comp157-6 3.57E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

500 comp206-6 3.60E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

501 comp507-6 3.62E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

502 comp255-6 3.63E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

503 comp70-2 3.64E-06 CSCC12CCC(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

504 comp546-4 3.66E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

505 comp519-2 3.68E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

506 comp251-0 3.70E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

507 comp516-6 3.71E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

508 comp659-0 3.71E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

509 comp191-1 3.71E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

510 comp186-4 3.72E-06 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

511 comp474-8 3.74E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

512 comp128-6 3.75E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

513 comp28-3 3.77E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

514 comp38-6 3.77E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

515 comp312-0 3.79E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

516 comp541-1 3.79E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

517 comp41-2 3.79E-06 CSC[Si]12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

518 comp282-4 3.80E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

519 comp531-4 3.83E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

520 comp595-2 3.84E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

521 comp620-3 3.87E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

36

522 comp385-4 3.89E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

523 comp33-6 3.90E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

524 comp166-6 3.91E-06 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

525 comp450-6 3.94E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

526 comp403-5 3.94E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

527 comp0-6 3.96E-06 CSCC12CCC(CSC)(CC1)CC2

528 comp339-6 3.98E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

529 comp286-8 3.98E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

530 comp535-2 4.03E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

531 comp9-3 4.04E-06 CSC[Si]12CC[Ge](CSC)(CC1)CC2

532 comp352-1 4.06E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

533 comp81-2 4.06E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

534 comp126-8 4.07E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

535 comp506-2 4.07E-06 CSCC12[Ge](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

536 comp642-0 4.08E-06 CSC[Si]12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

537 comp37-0 4.09E-06 CSCC12CC[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

538 comp440-2 4.12E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

539 comp473-3 4.13E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

540 comp368-2 4.17E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

541 comp456-4 4.18E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

542 comp694-6 4.22E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

543 comp293-3 4.25E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

544 comp637-8 4.27E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

545 comp16-6 4.29E-06 CSCC12CCC(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

546 comp13-4 4.30E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Si](C)(C)C2

547 comp40-0 4.31E-06 CSC[Si]12CC[Ge](CSC)(CC1)C[Ge]2(C)C

548 comp457-7 4.35E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

549 comp468-8 4.35E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

550 comp587-8 4.39E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

551 comp574-4 4.40E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

552 comp727-0 4.40E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

553 comp515-1 4.41E-06 CSCC12[Ge](C)(C)C[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

554 comp26-3 4.42E-06 CSC[Si]12CC[Si](CSC)(CC1)[Si](C)(C)C2

555 comp643-5 4.42E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

556 comp367-8 4.43E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

557 comp263-2 4.44E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

558 comp287-1 4.44E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

559 comp322-5 4.46E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

560 comp513-6 4.47E-06 CSC[Si]12CC[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

561 comp416-0 4.47E-06 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

562 comp418-8 4.48E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

37

563 comp556-2 4.48E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

564 comp75-4 4.55E-06 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

565 comp483-6 4.56E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

566 comp415-1 4.56E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

567 comp106-4 4.58E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

568 comp314-1 4.63E-06 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

569 comp443-8 4.70E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

570 comp119-4 4.72E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Ge]2(C)C

571 comp660-8 4.72E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

572 comp174-5 4.74E-06 CSC[Ge]12CC[Ge](CSC)(CC1)[Si](C)(C)[Si]2(C)C

573 comp217-4 4.75E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

574 comp8-8 4.77E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)C2

575 comp387-1 4.77E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

576 comp439-3 4.78E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

577 comp635-3 4.79E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

578 comp253-3 4.79E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

579 comp194-6 4.81E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

580 comp292-8 4.91E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

581 comp366-2 4.92E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

582 comp609-4 4.92E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

583 comp554-3 4.93E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

584 comp268-1 4.94E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

585 comp243-4 4.96E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

586 comp147-1 4.97E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

587 comp508-8 4.97E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

588 comp442-4 4.98E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

589 comp165-6 5.01E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

590 comp29-3 5.03E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

591 comp576-2 5.06E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

592 comp288-7 5.12E-06 CSC[Si]12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

593 comp407-5 5.13E-06 CSC[Si]12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

594 comp348-2 5.19E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

595 comp705-6 5.20E-06 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

596 comp143-8 5.22E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

597 comp167-0 5.25E-06 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

598 comp96-6 5.28E-06 CSCC12C[Si](C)(C)[Si](CSC)(C[Si]1(C)C)[Si](C)(C)C2

599 comp698-1 5.28E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

600 comp116-2 5.31E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

601 comp68-2 5.31E-06 CSCC12C[Si](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

602 comp205-4 5.32E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

603 comp67-1 5.39E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

38

604 comp728-1 5.46E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

605 comp630-8 5.47E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

606 comp254-8 5.50E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

607 comp305-0 5.53E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

608 comp530-3 5.62E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

609 comp647-4 5.63E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

610 comp490-2 5.66E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

611 comp44-8 5.69E-06 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)[Ge]2(C)C

612 comp55-7 5.71E-06 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

613 comp115-2 5.71E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

614 comp35-1 5.72E-06 CSCC12CC[Si](CSC)([Si](C)(C)C1)[Si](C)(C)C2

615 comp230-4 5.83E-06 CSC[Si]12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

616 comp58-6 5.87E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

617 comp555-1 5.98E-06 CSCC12[Si](C)(C)[Si](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

618 comp446-5 6.06E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

619 comp185-3 6.07E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

620 comp197-0 6.11E-06 CSCC12CCC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

621 comp159-8 6.13E-06 CSCC12CCC(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

622 comp364-2 6.15E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

623 comp184-5 6.15E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

624 comp169-8 6.15E-06 CSCC12C[Ge](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

625 comp11-6 6.18E-06 CSCC12CC[Si](CSC)(CC1)[Ge](C)(C)C2

626 comp394-2 6.20E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

627 comp476-8 6.24E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

628 comp179-0 6.34E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

629 comp162-7 6.35E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

630 comp730-6 6.36E-06 CSC[Si]12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

631 comp729-0 6.42E-06 CSC[Si]12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

632 comp272-7 6.50E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

633 comp74-2 6.52E-06 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

634 comp14-4 6.60E-06 CSCC12CCC(CSC)(CC1)[Si](C)(C)[Si]2(C)C

635 comp39-0 6.61E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)[Ge]2(C)C

636 comp315-3 6.64E-06 CSCC12CC[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

637 comp668-1 6.66E-06 CSCC12[Si](C)(C)[Si](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

638 comp598-6 6.73E-06 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

639 comp79-3 6.76E-06 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

640 comp353-0 6.85E-06 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

641 comp24-2 6.88E-06 CSCC12CCC(CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

642 comp393-6 6.88E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

643 comp449-1 7.00E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

644 comp455-1 7.11E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

39

645 comp17-2 7.15E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)C2

646 comp716-6 7.15E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

647 comp150-6 7.22E-06 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

648 comp50-2 7.27E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Ge](C)(C)[Si]2(C)C

649 comp56-0 7.36E-06 CSCC12CCC(CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

650 comp156-1 7.38E-06 CSCC12C[Si](C)(C)C(CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

651 comp48-4 7.40E-06 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

652 comp202-7 7.44E-06 CSC[Ge]12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

653 comp112-3 7.44E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

654 comp273-2 7.45E-06 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

655 comp60-5 7.51E-06 CSCC12CC[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

656 comp47-6 7.71E-06 CSCC12CCC(CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

657 comp204-5 7.72E-06 CSCC12[Ge](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

658 comp597-8 8.11E-06 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

659 comp118-6 8.13E-06 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

660 comp536-2 8.18E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

661 comp769-3 8.21E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

662 comp764-0 8.22E-06 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

663 comp771-4 8.27E-06 CSC[Ge]12[Ge](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

664 comp120-6 8.30E-06 CSC[Si]12CC[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

665 comp294-6 8.37E-06 CSCC12CC[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

666 comp235-2 8.46E-06 CSC[Si]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

667 comp594-5 8.48E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

668 comp460-7 8.53E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

669 comp723-2 8.58E-06 CSCC12[Ge](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

670 comp36-0 8.62E-06 CSC[Si]12CC[Ge](CSC)(CC1)C[Si]2(C)C

671 comp208-8 8.66E-06 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

672 comp21-3 8.75E-06 CSCC12CC[Ge](CSC)(CC1)C[Ge]2(C)C

673 comp377-4 8.82E-06 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

674 comp528-8 8.94E-06 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Si]2(C)C

675 comp19-5 8.95E-06 CSCC12CCC(CSC)(CC1)[Ge](C)(C)[Si]2(C)C

676 comp708-7 8.98E-06 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

677 comp89-1 8.98E-06 CSCC12[Si](C)(C)C[Si](CSC)(C[Si]1(C)C)C[Si]2(C)C

678 comp375-4 9.02E-06 CSCC12C[Ge](C)(C)C(CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

679 comp127-5 9.03E-06 CSCC12C[Si](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

680 comp62-1 9.10E-06 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)[Si]2(C)C

681 comp30-1 9.25E-06 CSCC12CC[Si](CSC)(CC1)[Si](C)(C)[Si]2(C)C

682 comp297-5 9.27E-06 CSC[Si]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

683 comp562-5 9.48E-06 CSCC12[Si](C)(C)C[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

684 comp95-7 9.63E-06 CSCC12CC[Si](CSC)(C[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

685 comp569-1 9.80E-06 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

40

686 comp384-3 9.81E-06 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

687 comp76-6 1.02E-05 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

688 comp306-1 1.03E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

689 comp271-1 1.05E-05 CSCC12C[Ge](C)(C)[Si](CSC)(C[Ge]1(C)C)[Si](C)(C)[Si]2(C)C

690 comp391-2 1.05E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Ge]2(C)C

691 comp6-6 1.06E-05 CSC[Si]12CC[Si](CSC)(CC1)CC2

692 comp770-0 1.07E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

693 comp153-2 1.07E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

694 comp674-6 1.07E-05 CSCC12[Ge](C)(C)[Si](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

695 comp404-8 1.09E-05 CSCC12C[Ge](C)(C)C(CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

696 comp464-1 1.11E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

697 comp542-1 1.12E-05 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

698 comp768-2 1.13E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

699 comp342-0 1.14E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

700 comp183-5 1.16E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Ge]1(C)C)C[Ge]2(C)C

701 comp691-3 1.17E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

702 comp61-7 1.18E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

703 comp579-6 1.18E-05 CSCC12[Si](C)(C)[Ge](C)(C)C(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

704 comp20-3 1.18E-05 CSC[Ge]12CC[Ge](CSC)(CC1)CC2

705 comp188-4 1.19E-05 CSCC12CC[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)[Si]2(C)C

706 comp31-3 1.20E-05 CSC[Si]12CC[Ge](CSC)(CC1)[Si](C)(C)C2

707 comp656-2 1.22E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

708 comp69-0 1.23E-05 CSCC12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

709 comp190-4 1.24E-05 CSCC12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

710 comp138-7 1.25E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

711 comp766-0 1.27E-05 CSC[Ge]12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

712 comp324-2 1.28E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

713 comp72-5 1.28E-05 CSC[Ge]12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

714 comp704-5 1.28E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

715 comp765-1 1.28E-05 CSC[Ge]12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

716 comp501-4 1.29E-05 CSCC12C[Si](C)([Si](C)(CSC)[Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

717 comp92-4 1.30E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

718 comp697-5 1.31E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

719 comp257-0 1.32E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

720 comp187-4 1.33E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

721 comp688-5 1.33E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

722 comp22-5 1.33E-05 CSCC12CC[Ge](CSC)(CC1)[Ge](C)(C)C2

723 comp201-4 1.34E-05 CSC[Ge]12CC[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

724 comp180-1 1.35E-05 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Ge](C)(C)C2

725 comp523-5 1.36E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

726 comp374-6 1.38E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

41

727 comp401-3 1.39E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

728 comp369-8 1.43E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Si](C)(C)[Ge]2(C)C

729 comp176-3 1.43E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)C2

730 comp15-6 1.46E-05 CSCC12CC[Ge](CSC)(CC1)C[Si]2(C)C

731 comp396-6 1.48E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)C2

732 comp207-6 1.58E-05 CSCC12C[Ge](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

733 comp164-3 1.60E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Ge]2(C)C

734 comp715-3 1.64E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

735 comp52-7 1.64E-05 CSCC12CC[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

736 comp232-0 1.67E-05 CSC[Si]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

737 comp722-4 1.67E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

738 comp357-2 1.73E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

739 comp710-5 1.77E-05 CSCC12[Si](C)(C)[Ge](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

740 comp151-8 1.79E-05 CSC[Ge]12CC[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

741 comp2-6 1.80E-05 CSCC12CC[Si](CSC)(CC1)CC2

742 comp693-0 1.80E-05 CSCC12[Si](C)(C)[Si](C)(C)[Ge](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

743 comp356-3 1.81E-05 CSC[Ge]12C[Ge](C)(C)[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

744 comp171-1 1.83E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

745 comp495-5 1.96E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

746 comp250-7 1.97E-05 CSCC12C[Si](C)(C)[Si](CSC)([Si](C)(C)C1)[Si](C)(C)[Si]2(C)C

747 comp484-5 1.98E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

748 comp49-4 2.03E-05 CSCC12C[Si](C)(C)C(CSC)(C[Si]1(C)C)[Ge](C)(C)C2

749 comp199-3 2.06E-05 CSCC12C[Si](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

750 comp376-4 2.16E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Ge]1(C)C)[Ge](C)(C)C2

751 comp323-2 2.23E-05 CSC[Ge]12C[Si](C)(C)[Ge](CSC)(C[Si]1(C)C)[Si](C)(C)C2

752 comp181-4 2.25E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Ge](C)(C)C2

753 comp462-5 2.54E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

754 comp330-4 2.63E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

755 comp63-3 2.77E-05 CSCC12CC[Ge](CSC)(C[Ge]1(C)C)[Si](C)(C)C2

756 comp424-7 2.78E-05 CSC[Si]12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

757 comp480-5 2.83E-05 CSC[Si]12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Si]2(C)C

758 comp209-8 2.84E-05 CSCC12C[Ge](C)(C)[Ge](CSC)([Ge](C)(C)C1)[Ge](C)(C)C2

759 comp59-8 2.91E-05 CSC[Ge]12CC[Ge](CSC)(CC1)[Si](C)(C)C2

760 comp160-0 2.93E-05 CSCC12[Si](C)(C)C[Ge](CSC)(C[Si]1(C)C)C[Si]2(C)C

761 comp341-8 2.99E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Ge]2(C)C

762 comp392-4 3.07E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Ge]1(C)C)[Ge](C)(C)[Ge]2(C)C

763 comp499-8 3.09E-05 CSCC12C[Ge](C)(C)[Si](CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

764 comp238-1 3.47E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

765 comp242-1 3.65E-05 CSCC12CC[Si](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

766 comp163-1 3.69E-05 CSC[Ge]12CC[Ge](CSC)([Si](C)(C)C1)[Si](C)(C)C2

767 comp145-8 3.92E-05 CSCC12CCC(CSC)([Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]2(C)C

42

768 comp18-2 4.04E-05 CSCC12CC[Ge](CSC)(CC1)[Si](C)(C)C2

769 comp173-8 4.20E-05 CSCC12CCC(CSC)([Ge](C)(C)[Si]1(C)C)[Ge](C)(C)[Si]2(C)C

770 comp4-8 4.91E-05 CSCC12CC[Ge](CSC)(CC1)CC2

771 comp373-5 5.33E-05 CSCC12CC[Ge](CSC)([Si](C)(C)[Si]1(C)C)[Ge](C)(C)[Ge]2(C)C

REFERENCES

1. Landrum, G. Rdkit: Open-Source Cheminformatics, http://www.rdkit.org. 2. Grimme, S.; Bannwarth, C.; Shushkov, P., A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All Spd-Block Elements (Z = 1–86). J. Chem. Theory Comput. 2017, 13, 1989-2009. 3. Garner, M. H.; Li, H.; Chen, Y.; Su, T. A.; Shangguan, Z.; Paley, D. W.; Liu, T.; Ng, F.; Li, H.; Xiao, S., et al., Comprehensive Suppression of Single-Molecule Conductance Using Destructive Σ-Interference. Nature 2018, 558, 415-419. 4. Larsen, A. H.; Mortensen, J. J.; Blomqvist, J.; Castelli, I. E.; Christensen, R.; Dułak, M.; Friis, J.; Groves, M. N.; Hammer, B.; Hargus, C., et al., The Atomic Simulation Environment—a Python Library for Working with Atoms. J. Phys.: Condens. Matter 2017, 29, 273002. 5. Mortensen, J. J.; Hansen, L. B.; Jacobsen, K. W., Real-Space Grid Implementation of the Projector Augmented Wave Method. Phys. Rev. B 2005, 71, 035109. 6. Larsen, A. H.; Vanin, M.; Mortensen, J. J.; Thygesen, K. S.; Jacobsen, K. W., Localized Atomic Basis Set in the Projector Augmented Wave Method. Phys. Rev. B 2009, 80, 195112. 7. Perdew, J. P.; Burke, K.; Ernzerhof, M., Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868. 8. Chen, J.; Thygesen, K. S.; Jacobsen, K. W., Ab Initio Nonequilibrium Quantum Transport and Forces with the Real-Space Projector Augmented Wave Method. Phys. Rev. B 2012, 85, 155140.

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the bicyclo[2.2.2]octane motif: a class of saturated group

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