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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-12-19 20:22:18 UTC

Update Date

2021-09-14 15:47:04 UTC

HMDB ID

HMDB0005772

Secondary Accession Numbers

HMDB05772

Metabolite Identification

Common Name

Postin

Description

Postin belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Postin has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make postin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Postin.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02231220292D          

 35 36  0  0  1  0            999 V2000
   16.0993  -10.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0084   -9.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6762   -6.9914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6430   -7.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2015   -8.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3849   -8.8773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841  -10.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4500   -8.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6323   -8.0531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3184  -11.2811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1285   -4.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5700   -3.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1724   -3.7213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0523   -8.3925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7975   -7.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7174   -8.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9725   -7.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705  -10.1148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3849   -9.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -9.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3647  -10.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8370   -8.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2347   -8.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4062   -9.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1907   -9.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8477   -7.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3623  -10.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2454   -7.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0738   -6.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1469  -10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6869   -6.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0300   -7.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5153   -5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9571   -3.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
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 24  8  1  6  0  0  0
  9 27  1  0  0  0  0
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 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END

HMDB0005772
     RDKit          3D
Postin
 75 76  0  0  0  0  0  0  0  0999 V2000
    7.7868   -0.0298    0.3459 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -1.2718    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241   -2.1963   -0.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920   -1.6751    0.9494 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946   -0.8676    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2506    0.1039   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3797   -1.5471 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3724    1.2409   -1.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    0.7207   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.5113   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    1.6397   -0.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.2555    4.1163    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    5.0497    2.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 75  1  0
M  END


  Mrv0541 02231220292D          

 35 36  0  0  1  0            999 V2000
   16.0993  -10.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0084   -9.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6762   -6.9914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6430   -7.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2015   -8.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3849   -8.8773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841  -10.9353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4500   -8.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1285   -4.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5700   -3.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1724   -3.7213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0005772

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1

> <INCHI_KEY>
WUUNPBLZLWVARQ-QAETUUGQSA-N

> <FORMULA>
C22H40N8O5

> <MOLECULAR_WEIGHT>
496.6036

> <EXACT_MASS>
496.31216643

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
52.64644305855271

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-3.03

> <JCHEM_LOGP>
-4.246262315209453

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.60925668048046

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4116651739684714

> <JCHEM_PKA_STRONGEST_BASIC>
11.939687777165723

> <JCHEM_POLAR_SURFACE_AREA>
215.76

> <JCHEM_REFRACTIVITY>
138.38359999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0005772
     RDKit          3D
Postin
 75 76  0  0  0  0  0  0  0  0999 V2000
    7.7868   -0.0298    0.3459 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -1.2718    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241   -2.1963   -0.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920   -1.6751    0.9494 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946   -0.8676    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844   -0.7344   -0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.1039   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3797   -1.5471 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3724    1.2409   -1.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    0.7207   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.5113   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    1.6397   -0.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8559    2.4526    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    3.3409    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    4.1163    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    5.0497    2.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322    6.0252    1.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967    0.7960   -0.2983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890    0.7260   -1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.3637   -2.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4041   -0.1101   -1.0697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6654    0.7407   -1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4534    0.5141    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3143    0.3170    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644   -0.6240    0.2646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720   -1.7509    0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491   -1.9885    2.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0337   -2.7191    0.1318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8435   -3.6647   -0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -4.7080   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940   -4.6865    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5044   -3.7424    1.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -0.8244   -2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -0.7341   -2.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -1.9945   -2.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6534    0.2892   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5686   -2.0505   -1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7328   -3.0352    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.6391    1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564    0.1431    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -1.3633    1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -1.7452   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432   -0.1711   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129    1.0862    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -0.4343    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    1.0050   -2.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    2.2536   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    2.2555   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.7291    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    3.0929    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2709    2.7026    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    4.0276   -0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205    3.3505    2.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    4.7105    2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    4.4873    2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    5.5517    3.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    5.9427    0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    6.9906    1.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.2959    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340   -0.8764   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2851    0.3723   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4075    1.8186   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898   -0.4557   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    1.3692    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987    1.3040    1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6425   -0.0720    1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -2.2481   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -4.1981   -0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2332   -3.1980   -1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802   -5.7007   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1619   -4.2830   -1.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -4.3227   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7775   -5.6892    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819   -4.2026    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678   -2.7866   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 12 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
  8 33  1  0
 33 34  2  0
 33 35  1  0
 25 21  1  0
 32 28  1  0
  1 36  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  6
  9 47  1  0
 12 48  1  6
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 21 60  1  6
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 28 67  1  6
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 32 74  1  0
 35 75  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      30.052 -18.881   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      31.749 -17.648   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      34.862 -13.051   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      40.400 -13.448   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      39.576 -15.984   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      28.719 -16.571   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      27.224 -20.413   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      32.573 -15.111   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      36.647 -15.033   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      37.928 -21.058   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      39.440  -8.929   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      40.264  -6.392   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      37.655  -6.946   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      29.964 -15.666   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      29.489 -14.201   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.472 -15.666   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      27.949 -14.201   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      27.385 -18.881   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      28.719 -18.111   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.978 -18.255   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.947 -19.399   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.718 -20.733   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      31.429 -16.142   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      34.038 -15.587   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      34.358 -17.093   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      35.823 -17.570   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      35.182 -14.557   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      36.143 -19.076   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      37.791 -14.002   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      37.471 -12.496   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      37.608 -19.552   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      38.616 -11.466   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      39.256 -14.478   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      38.295  -9.959   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      39.120  -7.422   0.000  0.00  0.00           C+0
CONECT    1   19                                                            
CONECT    2   23                                                            
CONECT    3   27                                                            
CONECT    4   33                                                            
CONECT    5   33                                                            
CONECT    6   14   16   19                                                  
CONECT    7   18   22                                                       
CONECT    8   23   24                                                       
CONECT    9   27   29                                                       
CONECT   10   31                                                            
CONECT   11   34   35                                                       
CONECT   12   35                                                            
CONECT   13   35                                                            
CONECT   14    6   15   23                                                  
CONECT   15   14   17                                                       
CONECT   16    6   17                                                       
CONECT   17   15   16                                                       
CONECT   18    7   19   20                                                  
CONECT   19    1    6   18                                                  
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22    7   21                                                       
CONECT   23    2    8   14                                                  
CONECT   24    8   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25   28                                                       
CONECT   27    3    9   24                                                  
CONECT   28   26   31                                                       
CONECT   29    9   30   33                                                  
CONECT   30   29   32                                                       
CONECT   31   10   28                                                       
CONECT   32   30   34                                                       
CONECT   33    4    5   29                                                  
CONECT   34   11   32                                                       
CONECT   35   11   12   13                                                  
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

COMPND    HMDB0005772
HETATM    1  N1  UNL     1       7.787  -0.030   0.346  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.481  -1.272   0.321  1.00  0.00           C  
HETATM    3  N2  UNL     1       8.324  -2.196  -0.326  1.00  0.00           N  
HETATM    4  N3  UNL     1       6.292  -1.675   0.949  1.00  0.00           N  
HETATM    5  C2  UNL     1       5.095  -0.868   1.008  1.00  0.00           C  
HETATM    6  C3  UNL     1       4.484  -0.734  -0.392  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.251   0.104  -0.286  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.536   0.380  -1.547  1.00  0.00           C  
HETATM    9  N4  UNL     1       1.372   1.241  -1.248  1.00  0.00           N  
HETATM   10  C6  UNL     1       0.140   0.721  -0.809  1.00  0.00           C  
HETATM   11  O1  UNL     1      -0.023  -0.511  -0.642  1.00  0.00           O  
HETATM   12  C7  UNL     1      -0.991   1.640  -0.540  1.00  0.00           C  
HETATM   13  C8  UNL     1      -0.856   2.453   0.705  1.00  0.00           C  
HETATM   14  C9  UNL     1       0.349   3.341   0.787  1.00  0.00           C  
HETATM   15  C10 UNL     1       0.255   4.116   2.102  1.00  0.00           C  
HETATM   16  C11 UNL     1       1.406   5.050   2.300  1.00  0.00           C  
HETATM   17  N5  UNL     1       1.432   6.025   1.206  1.00  0.00           N  
HETATM   18  N6  UNL     1      -2.197   0.796  -0.298  1.00  0.00           N  
HETATM   19  C12 UNL     1      -3.189   0.726  -1.292  1.00  0.00           C  
HETATM   20  O2  UNL     1      -3.046   1.364  -2.357  1.00  0.00           O  
HETATM   21  C13 UNL     1      -4.404  -0.110  -1.070  1.00  0.00           C  
HETATM   22  C14 UNL     1      -5.665   0.741  -1.279  1.00  0.00           C  
HETATM   23  C15 UNL     1      -6.453   0.514   0.014  1.00  0.00           C  
HETATM   24  C16 UNL     1      -5.314   0.317   1.005  1.00  0.00           C  
HETATM   25  N7  UNL     1      -4.464  -0.624   0.265  1.00  0.00           N  
HETATM   26  C17 UNL     1      -3.872  -1.751   0.849  1.00  0.00           C  
HETATM   27  O3  UNL     1      -4.049  -1.988   2.098  1.00  0.00           O  
HETATM   28  C18 UNL     1      -3.034  -2.719   0.132  1.00  0.00           C  
HETATM   29  C19 UNL     1      -3.843  -3.665  -0.767  1.00  0.00           C  
HETATM   30  C20 UNL     1      -2.764  -4.708  -1.081  1.00  0.00           C  
HETATM   31  C21 UNL     1      -1.894  -4.686   0.149  1.00  0.00           C  
HETATM   32  N8  UNL     1      -2.504  -3.742   1.063  1.00  0.00           N  
HETATM   33  C22 UNL     1       2.091  -0.824  -2.268  1.00  0.00           C  
HETATM   34  O4  UNL     1       0.981  -0.734  -2.916  1.00  0.00           O  
HETATM   35  O5  UNL     1       2.752  -1.994  -2.294  1.00  0.00           O  
HETATM   36  H1  UNL     1       8.653   0.289  -0.108  1.00  0.00           H  
HETATM   37  H2  UNL     1       8.569  -2.050  -1.337  1.00  0.00           H  
HETATM   38  H3  UNL     1       8.733  -3.035   0.140  1.00  0.00           H  
HETATM   39  H4  UNL     1       6.278  -2.639   1.408  1.00  0.00           H  
HETATM   40  H5  UNL     1       5.356   0.143   1.388  1.00  0.00           H  
HETATM   41  H6  UNL     1       4.329  -1.363   1.641  1.00  0.00           H  
HETATM   42  H7  UNL     1       4.348  -1.745  -0.794  1.00  0.00           H  
HETATM   43  H8  UNL     1       5.243  -0.171  -0.993  1.00  0.00           H  
HETATM   44  H9  UNL     1       3.513   1.086   0.222  1.00  0.00           H  
HETATM   45  H10 UNL     1       2.505  -0.434   0.389  1.00  0.00           H  
HETATM   46  H11 UNL     1       3.143   1.005  -2.295  1.00  0.00           H  
HETATM   47  H12 UNL     1       1.495   2.254  -1.392  1.00  0.00           H  
HETATM   48  H13 UNL     1      -1.134   2.255  -1.413  1.00  0.00           H  
HETATM   49  H14 UNL     1      -0.864   1.729   1.576  1.00  0.00           H  
HETATM   50  H15 UNL     1      -1.759   3.093   0.884  1.00  0.00           H  
HETATM   51  H16 UNL     1       1.271   2.703   0.829  1.00  0.00           H  
HETATM   52  H17 UNL     1       0.465   4.028  -0.056  1.00  0.00           H  
HETATM   53  H18 UNL     1       0.220   3.351   2.901  1.00  0.00           H  
HETATM   54  H19 UNL     1      -0.688   4.710   2.120  1.00  0.00           H  
HETATM   55  H20 UNL     1       2.378   4.487   2.245  1.00  0.00           H  
HETATM   56  H21 UNL     1       1.326   5.552   3.280  1.00  0.00           H  
HETATM   57  H22 UNL     1       0.562   5.943   0.621  1.00  0.00           H  
HETATM   58  H23 UNL     1       1.540   6.991   1.603  1.00  0.00           H  
HETATM   59  H24 UNL     1      -2.233   0.296   0.613  1.00  0.00           H  
HETATM   60  H25 UNL     1      -4.434  -0.876  -1.870  1.00  0.00           H  
HETATM   61  H26 UNL     1      -6.285   0.372  -2.115  1.00  0.00           H  
HETATM   62  H27 UNL     1      -5.407   1.819  -1.369  1.00  0.00           H  
HETATM   63  H28 UNL     1      -6.990  -0.456  -0.057  1.00  0.00           H  
HETATM   64  H29 UNL     1      -7.096   1.369   0.262  1.00  0.00           H  
HETATM   65  H30 UNL     1      -4.799   1.304   1.100  1.00  0.00           H  
HETATM   66  H31 UNL     1      -5.642  -0.072   1.971  1.00  0.00           H  
HETATM   67  H32 UNL     1      -2.231  -2.248  -0.445  1.00  0.00           H  
HETATM   68  H33 UNL     1      -4.593  -4.198  -0.152  1.00  0.00           H  
HETATM   69  H34 UNL     1      -4.233  -3.198  -1.662  1.00  0.00           H  
HETATM   70  H35 UNL     1      -3.180  -5.701  -1.297  1.00  0.00           H  
HETATM   71  H36 UNL     1      -2.162  -4.283  -1.928  1.00  0.00           H  
HETATM   72  H37 UNL     1      -0.869  -4.323  -0.074  1.00  0.00           H  
HETATM   73  H38 UNL     1      -1.777  -5.689   0.602  1.00  0.00           H  
HETATM   74  H39 UNL     1      -3.382  -4.203   1.448  1.00  0.00           H  
HETATM   75  H40 UNL     1       2.368  -2.787  -1.774  1.00  0.00           H  
CONECT    1    2    2   36
CONECT    2    3    4
CONECT    3   37   38
CONECT    4    5   39
CONECT    5    6   40   41
CONECT    6    7   42   43
CONECT    7    8   44   45
CONECT    8    9   33   46
CONECT    9   10   47
CONECT   10   11   11   12
CONECT   12   13   18   48
CONECT   13   14   49   50
CONECT   14   15   51   52
CONECT   15   16   53   54
CONECT   16   17   55   56
CONECT   17   57   58
CONECT   18   19   59
CONECT   19   20   20   21
CONECT   21   22   25   60
CONECT   22   23   61   62
CONECT   23   24   63   64
CONECT   24   25   65   66
CONECT   25   26
CONECT   26   27   27   28
CONECT   28   29   32   67
CONECT   29   30   68   69
CONECT   30   31   70   71
CONECT   31   32   72   73
CONECT   32   74
CONECT   33   34   34   35
CONECT   35   75
END

HMDB0005772
     RDKit          3D
Postin
 75 76  0  0  0  0  0  0  0  0999 V2000
    7.7868   -0.0298    0.3459 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -1.2718    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241   -2.1963   -0.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920   -1.6751    0.9494 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946   -0.8676    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844   -0.7344   -0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.1039   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    0.3797   -1.5471 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3724    1.2409   -1.2478 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    0.7207   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -0.5113   -0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    1.6397   -0.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8559    2.4526    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    3.3409    0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555    4.1163    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    5.0497    2.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322    6.0252    1.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967    0.7960   -0.2983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890    0.7260   -1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.3637   -2.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4041   -0.1101   -1.0697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6654    0.7407   -1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4534    0.5141    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3143    0.3170    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644   -0.6240    0.2646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720   -1.7509    0.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491   -1.9885    2.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0337   -2.7191    0.1318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8435   -3.6647   -0.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -4.7080   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940   -4.6865    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5044   -3.7424    1.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -0.8244   -2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -0.7341   -2.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -1.9945   -2.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6534    0.2892   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5686   -2.0505   -1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7328   -3.0352    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.6391    1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564    0.1431    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -1.3633    1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -1.7452   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432   -0.1711   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129    1.0862    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -0.4343    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    1.0050   -2.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950    2.2536   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    2.2555   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.7291    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    3.0929    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2709    2.7026    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    4.0276   -0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205    3.3505    2.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    4.7105    2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    4.4873    2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    5.5517    3.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    5.9427    0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    6.9906    1.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    0.2959    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340   -0.8764   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2851    0.3723   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4075    1.8186   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898   -0.4557   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0955    1.3692    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987    1.3040    1.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6425   -0.0720    1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -2.2481   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5931   -4.1981   -0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2332   -3.1980   -1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802   -5.7007   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1619   -4.2830   -1.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -4.3227   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7775   -5.6892    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819   -4.2026    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678   -2.7866   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 12 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
  8 33  1  0
 33 34  2  0
 33 35  1  0
 25 21  1  0
 32 28  1  0
  1 36  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  7 44  1  0
  7 45  1  0
  8 46  1  6
  9 47  1  0
 12 48  1  6
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 21 60  1  6
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 28 67  1  6
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 32 74  1  0
 35 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Des(1-4)-cystatin C	HMDB
N-Terminal tetrapeptide cystatin c	HMDB
Lys-pro-pro-arg	MeSH, HMDB
Cystatin C, N-terminal tetrapeptide	MeSH, HMDB
Cystatin C, des(1-4)	MeSH, HMDB
De-(1-4)-cystatin C	MeSH, HMDB
(2S)-2-{[(2S)-6-amino-1-hydroxy-2-({hydroxy[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]methylidene}amino)hexylidene]amino}-5-carbamimidamidopentanoate	Generator, HMDB
Postin	MeSH

Chemical Formula

C₂₂H₄₀N₈O₅

Average Molecular Weight

496.6036

Monoisotopic Molecular Weight

496.31216643

IUPAC Name

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid

Traditional Name

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid

CAS Registry Number

103745-46-6

SMILES

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1

InChI Key

WUUNPBLZLWVARQ-QAETUUGQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Heterocyclic fatty acid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Tertiary carboxylic acid amide
Pyrrolidine
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Secondary amine
Carboxylic acid
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Organic oxygen compound
Carbonyl group
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Organic nitrogen compound
Primary amine
Hydrocarbon derivative
Amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0005772)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.24 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.2	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.41	ChemAxon
pKa (Strongest Basic)	11.94	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	215.76 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	138.38 m³·mol⁻¹	ChemAxon
Polarizability	52.65 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	215.693	31661259
DarkChem	[M-H]-	210.44	31661259
DeepCCS	[M+H]+	202.146	30932474
DeepCCS	[M-H]-	199.75	30932474
DeepCCS	[M-2H]-	232.633	30932474
DeepCCS	[M+Na]+	207.942	30932474
AllCCS	[M+H]+	213.0	32859911
AllCCS	[M+H-H2O]+	211.7	32859911
AllCCS	[M+NH4]+	214.2	32859911
AllCCS	[M+Na]+	214.6	32859911
AllCCS	[M-H]-	210.4	32859911
AllCCS	[M+Na-2H]-	210.8	32859911
AllCCS	[M+HCOO]-	211.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Postin	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	4415.2	Standard polar	33892256
Postin	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	4338.0	Standard non polar	33892256
Postin	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	4805.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Postin,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4490.5	Semi standard non polar	33892256
Postin,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4681.9	Semi standard non polar	33892256
Postin,1TMS,isomer #3	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4683.2	Semi standard non polar	33892256
Postin,1TMS,isomer #4	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4456.9	Semi standard non polar	33892256
Postin,1TMS,isomer #5	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4512.4	Semi standard non polar	33892256
Postin,1TMS,isomer #6	C[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	4475.0	Semi standard non polar	33892256
Postin,1TMS,isomer #7	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	4599.2	Semi standard non polar	33892256
Postin,1TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4503.3	Semi standard non polar	33892256
Postin,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4585.0	Semi standard non polar	33892256
Postin,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4086.6	Standard non polar	33892256
Postin,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	8540.4	Standard polar	33892256
Postin,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4506.5	Semi standard non polar	33892256
Postin,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4070.6	Standard non polar	33892256
Postin,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8473.8	Standard polar	33892256
Postin,2TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4587.1	Semi standard non polar	33892256
Postin,2TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4088.6	Standard non polar	33892256
Postin,2TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	8403.6	Standard polar	33892256
Postin,2TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4513.5	Semi standard non polar	33892256
Postin,2TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4077.0	Standard non polar	33892256
Postin,2TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	8472.1	Standard polar	33892256
Postin,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4636.9	Semi standard non polar	33892256
Postin,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4200.8	Standard non polar	33892256
Postin,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	8402.5	Standard polar	33892256
Postin,2TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4548.1	Semi standard non polar	33892256
Postin,2TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4208.5	Standard non polar	33892256
Postin,2TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	8369.5	Standard polar	33892256
Postin,2TMS,isomer #15	C[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4636.3	Semi standard non polar	33892256
Postin,2TMS,isomer #15	C[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4270.7	Standard non polar	33892256
Postin,2TMS,isomer #15	C[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	8410.8	Standard polar	33892256
Postin,2TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4567.4	Semi standard non polar	33892256
Postin,2TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4133.5	Standard non polar	33892256
Postin,2TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	8420.3	Standard polar	33892256
Postin,2TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4608.0	Semi standard non polar	33892256
Postin,2TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4217.7	Standard non polar	33892256
Postin,2TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	8484.7	Standard polar	33892256
Postin,2TMS,isomer #18	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4556.4	Semi standard non polar	33892256
Postin,2TMS,isomer #18	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4110.9	Standard non polar	33892256
Postin,2TMS,isomer #18	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8462.8	Standard polar	33892256
Postin,2TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4539.6	Semi standard non polar	33892256
Postin,2TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4108.7	Standard non polar	33892256
Postin,2TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	8462.0	Standard polar	33892256
Postin,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4558.4	Semi standard non polar	33892256
Postin,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4050.7	Standard non polar	33892256
Postin,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	8547.8	Standard polar	33892256
Postin,2TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4592.5	Semi standard non polar	33892256
Postin,2TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4131.5	Standard non polar	33892256
Postin,2TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	8386.4	Standard polar	33892256
Postin,2TMS,isomer #21	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4386.1	Semi standard non polar	33892256
Postin,2TMS,isomer #21	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	3963.1	Standard non polar	33892256
Postin,2TMS,isomer #21	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	8517.8	Standard polar	33892256
Postin,2TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4337.6	Semi standard non polar	33892256
Postin,2TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	3925.6	Standard non polar	33892256
Postin,2TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	8556.9	Standard polar	33892256
Postin,2TMS,isomer #23	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	4424.9	Semi standard non polar	33892256
Postin,2TMS,isomer #23	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	4042.9	Standard non polar	33892256
Postin,2TMS,isomer #23	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	8524.5	Standard polar	33892256
Postin,2TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4368.7	Semi standard non polar	33892256
Postin,2TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4044.7	Standard non polar	33892256
Postin,2TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	8481.9	Standard polar	33892256
Postin,2TMS,isomer #25	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4401.1	Semi standard non polar	33892256
Postin,2TMS,isomer #25	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	3961.6	Standard non polar	33892256
Postin,2TMS,isomer #25	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	8517.2	Standard polar	33892256
Postin,2TMS,isomer #26	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	4472.3	Semi standard non polar	33892256
Postin,2TMS,isomer #26	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	4068.9	Standard non polar	33892256
Postin,2TMS,isomer #26	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	8499.6	Standard polar	33892256
Postin,2TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4404.1	Semi standard non polar	33892256
Postin,2TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4036.9	Standard non polar	33892256
Postin,2TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	8459.9	Standard polar	33892256
Postin,2TMS,isomer #28	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	4467.5	Semi standard non polar	33892256
Postin,2TMS,isomer #28	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	4047.7	Standard non polar	33892256
Postin,2TMS,isomer #28	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	8517.0	Standard polar	33892256
Postin,2TMS,isomer #29	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4386.2	Semi standard non polar	33892256
Postin,2TMS,isomer #29	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4044.5	Standard non polar	33892256
Postin,2TMS,isomer #29	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8476.1	Standard polar	33892256
Postin,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4484.6	Semi standard non polar	33892256
Postin,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4014.9	Standard non polar	33892256
Postin,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	8575.9	Standard polar	33892256
Postin,2TMS,isomer #30	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4499.2	Semi standard non polar	33892256
Postin,2TMS,isomer #30	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4115.7	Standard non polar	33892256
Postin,2TMS,isomer #30	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	8525.6	Standard polar	33892256
Postin,2TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4393.6	Semi standard non polar	33892256
Postin,2TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4010.3	Standard non polar	33892256
Postin,2TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	8532.5	Standard polar	33892256
Postin,2TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4398.9	Semi standard non polar	33892256
Postin,2TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3926.1	Standard non polar	33892256
Postin,2TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8629.5	Standard polar	33892256
Postin,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4366.4	Semi standard non polar	33892256
Postin,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3918.0	Standard non polar	33892256
Postin,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8598.8	Standard polar	33892256
Postin,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4439.8	Semi standard non polar	33892256
Postin,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	3922.3	Standard non polar	33892256
Postin,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	8573.7	Standard polar	33892256
Postin,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	4736.9	Semi standard non polar	33892256
Postin,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	4247.8	Standard non polar	33892256
Postin,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	8623.8	Standard polar	33892256
Postin,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4753.0	Semi standard non polar	33892256
Postin,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4143.6	Standard non polar	33892256
Postin,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	8649.0	Standard polar	33892256
Postin,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4673.6	Semi standard non polar	33892256
Postin,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4156.9	Standard non polar	33892256
Postin,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	8038.5	Standard polar	33892256
Postin,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4516.2	Semi standard non polar	33892256
Postin,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	3992.8	Standard non polar	33892256
Postin,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	8035.3	Standard polar	33892256
Postin,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4454.1	Semi standard non polar	33892256
Postin,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3999.1	Standard non polar	33892256
Postin,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8103.0	Standard polar	33892256
Postin,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4545.7	Semi standard non polar	33892256
Postin,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4095.8	Standard non polar	33892256
Postin,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	8016.5	Standard polar	33892256
Postin,3TMS,isomer #13	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4466.9	Semi standard non polar	33892256
Postin,3TMS,isomer #13	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4084.5	Standard non polar	33892256
Postin,3TMS,isomer #13	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	8026.9	Standard polar	33892256
Postin,3TMS,isomer #14	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4402.0	Semi standard non polar	33892256
Postin,3TMS,isomer #14	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3950.2	Standard non polar	33892256
Postin,3TMS,isomer #14	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8228.2	Standard polar	33892256
Postin,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4390.2	Semi standard non polar	33892256
Postin,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3990.0	Standard non polar	33892256
Postin,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8226.0	Standard polar	33892256
Postin,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4339.4	Semi standard non polar	33892256
Postin,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3977.6	Standard non polar	33892256
Postin,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8194.9	Standard polar	33892256
Postin,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4406.2	Semi standard non polar	33892256
Postin,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	3965.0	Standard non polar	33892256
Postin,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	8192.9	Standard polar	33892256
Postin,3TMS,isomer #18	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4311.8	Semi standard non polar	33892256
Postin,3TMS,isomer #18	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3969.8	Standard non polar	33892256
Postin,3TMS,isomer #18	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8220.2	Standard polar	33892256
Postin,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4271.7	Semi standard non polar	33892256
Postin,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3954.2	Standard non polar	33892256
Postin,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	8186.7	Standard polar	33892256
Postin,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4583.0	Semi standard non polar	33892256
Postin,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4182.4	Standard non polar	33892256
Postin,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	7967.1	Standard polar	33892256
Postin,3TMS,isomer #20	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4330.2	Semi standard non polar	33892256
Postin,3TMS,isomer #20	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3934.0	Standard non polar	33892256
Postin,3TMS,isomer #20	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	8189.6	Standard polar	33892256
Postin,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4270.3	Semi standard non polar	33892256
Postin,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3879.6	Standard non polar	33892256
Postin,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	8249.4	Standard polar	33892256
Postin,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4344.7	Semi standard non polar	33892256
Postin,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3887.1	Standard non polar	33892256
Postin,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	8235.1	Standard polar	33892256
Postin,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4313.2	Semi standard non polar	33892256
Postin,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3884.0	Standard non polar	33892256
Postin,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	8200.8	Standard polar	33892256
Postin,3TMS,isomer #24	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4827.0	Semi standard non polar	33892256
Postin,3TMS,isomer #24	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4256.0	Standard non polar	33892256
Postin,3TMS,isomer #24	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	8021.7	Standard polar	33892256
Postin,3TMS,isomer #25	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4608.6	Semi standard non polar	33892256
Postin,3TMS,isomer #25	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4182.0	Standard non polar	33892256
Postin,3TMS,isomer #25	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7903.5	Standard polar	33892256
Postin,3TMS,isomer #26	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	4688.6	Semi standard non polar	33892256
Postin,3TMS,isomer #26	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	4201.9	Standard non polar	33892256
Postin,3TMS,isomer #26	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	7796.7	Standard polar	33892256
Postin,3TMS,isomer #27	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4616.8	Semi standard non polar	33892256
Postin,3TMS,isomer #27	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4186.8	Standard non polar	33892256
Postin,3TMS,isomer #27	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7921.1	Standard polar	33892256
Postin,3TMS,isomer #28	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4685.2	Semi standard non polar	33892256
Postin,3TMS,isomer #28	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4285.6	Standard non polar	33892256
Postin,3TMS,isomer #28	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7892.9	Standard polar	33892256
Postin,3TMS,isomer #29	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4635.2	Semi standard non polar	33892256
Postin,3TMS,isomer #29	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4167.6	Standard non polar	33892256
Postin,3TMS,isomer #29	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	7880.4	Standard polar	33892256
Postin,3TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4495.1	Semi standard non polar	33892256
Postin,3TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3971.8	Standard non polar	33892256
Postin,3TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7997.5	Standard polar	33892256
Postin,3TMS,isomer #30	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4721.5	Semi standard non polar	33892256
Postin,3TMS,isomer #30	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4332.4	Standard non polar	33892256
Postin,3TMS,isomer #30	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7763.0	Standard polar	33892256
Postin,3TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4623.4	Semi standard non polar	33892256
Postin,3TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4099.3	Standard non polar	33892256
Postin,3TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	8143.6	Standard polar	33892256
Postin,3TMS,isomer #32	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4681.2	Semi standard non polar	33892256
Postin,3TMS,isomer #32	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4124.4	Standard non polar	33892256
Postin,3TMS,isomer #32	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	8104.6	Standard polar	33892256
Postin,3TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	4632.7	Semi standard non polar	33892256
Postin,3TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	4109.0	Standard non polar	33892256
Postin,3TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	8151.0	Standard polar	33892256
Postin,3TMS,isomer #34	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	4747.0	Semi standard non polar	33892256
Postin,3TMS,isomer #34	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	4210.7	Standard non polar	33892256
Postin,3TMS,isomer #34	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	8096.4	Standard polar	33892256
Postin,3TMS,isomer #35	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4643.1	Semi standard non polar	33892256
Postin,3TMS,isomer #35	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4197.8	Standard non polar	33892256
Postin,3TMS,isomer #35	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	8104.5	Standard polar	33892256
Postin,3TMS,isomer #36	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4386.1	Semi standard non polar	33892256
Postin,3TMS,isomer #36	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4004.3	Standard non polar	33892256
Postin,3TMS,isomer #36	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7988.7	Standard polar	33892256
Postin,3TMS,isomer #37	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4479.4	Semi standard non polar	33892256
Postin,3TMS,isomer #37	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4124.4	Standard non polar	33892256
Postin,3TMS,isomer #37	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7928.9	Standard polar	33892256
Postin,3TMS,isomer #38	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4440.0	Semi standard non polar	33892256
Postin,3TMS,isomer #38	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4111.3	Standard non polar	33892256
Postin,3TMS,isomer #38	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	7938.7	Standard polar	33892256
Postin,3TMS,isomer #39	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4458.9	Semi standard non polar	33892256
Postin,3TMS,isomer #39	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4028.8	Standard non polar	33892256
Postin,3TMS,isomer #39	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7939.5	Standard polar	33892256
Postin,3TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4547.8	Semi standard non polar	33892256
Postin,3TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4121.4	Standard non polar	33892256
Postin,3TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8034.1	Standard polar	33892256
Postin,3TMS,isomer #40	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4461.3	Semi standard non polar	33892256
Postin,3TMS,isomer #40	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4029.2	Standard non polar	33892256
Postin,3TMS,isomer #40	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	7952.5	Standard polar	33892256
Postin,3TMS,isomer #41	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4539.7	Semi standard non polar	33892256
Postin,3TMS,isomer #41	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4140.6	Standard non polar	33892256
Postin,3TMS,isomer #41	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	7898.9	Standard polar	33892256
Postin,3TMS,isomer #42	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4488.7	Semi standard non polar	33892256
Postin,3TMS,isomer #42	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4112.3	Standard non polar	33892256
Postin,3TMS,isomer #42	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	7911.8	Standard polar	33892256
Postin,3TMS,isomer #43	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4511.2	Semi standard non polar	33892256
Postin,3TMS,isomer #43	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4132.6	Standard non polar	33892256
Postin,3TMS,isomer #43	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7936.3	Standard polar	33892256
Postin,3TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4448.2	Semi standard non polar	33892256
Postin,3TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4115.4	Standard non polar	33892256
Postin,3TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7948.6	Standard polar	33892256
Postin,3TMS,isomer #45	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4557.1	Semi standard non polar	33892256
Postin,3TMS,isomer #45	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4149.4	Standard non polar	33892256
Postin,3TMS,isomer #45	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	7962.4	Standard polar	33892256
Postin,3TMS,isomer #46	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4556.6	Semi standard non polar	33892256
Postin,3TMS,isomer #46	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4141.4	Standard non polar	33892256
Postin,3TMS,isomer #46	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7803.2	Standard polar	33892256
Postin,3TMS,isomer #47	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4617.3	Semi standard non polar	33892256
Postin,3TMS,isomer #47	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4323.7	Standard non polar	33892256
Postin,3TMS,isomer #47	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7947.4	Standard polar	33892256
Postin,3TMS,isomer #48	C[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4551.9	Semi standard non polar	33892256
Postin,3TMS,isomer #48	C[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4211.2	Standard non polar	33892256
Postin,3TMS,isomer #48	C[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7884.4	Standard polar	33892256
Postin,3TMS,isomer #49	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4531.4	Semi standard non polar	33892256
Postin,3TMS,isomer #49	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4209.9	Standard non polar	33892256
Postin,3TMS,isomer #49	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7871.3	Standard polar	33892256
Postin,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4498.4	Semi standard non polar	33892256
Postin,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4050.1	Standard non polar	33892256
Postin,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8040.9	Standard polar	33892256
Postin,3TMS,isomer #50	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4565.8	Semi standard non polar	33892256
Postin,3TMS,isomer #50	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4229.8	Standard non polar	33892256
Postin,3TMS,isomer #50	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7841.6	Standard polar	33892256
Postin,3TMS,isomer #51	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4549.0	Semi standard non polar	33892256
Postin,3TMS,isomer #51	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4062.9	Standard non polar	33892256
Postin,3TMS,isomer #51	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	7821.1	Standard polar	33892256
Postin,3TMS,isomer #52	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4478.4	Semi standard non polar	33892256
Postin,3TMS,isomer #52	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4015.2	Standard non polar	33892256
Postin,3TMS,isomer #52	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	7907.2	Standard polar	33892256
Postin,3TMS,isomer #53	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4460.0	Semi standard non polar	33892256
Postin,3TMS,isomer #53	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4011.2	Standard non polar	33892256
Postin,3TMS,isomer #53	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	7894.5	Standard polar	33892256
Postin,3TMS,isomer #54	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4505.6	Semi standard non polar	33892256
Postin,3TMS,isomer #54	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3985.2	Standard non polar	33892256
Postin,3TMS,isomer #54	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	7864.7	Standard polar	33892256
Postin,3TMS,isomer #55	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4532.2	Semi standard non polar	33892256
Postin,3TMS,isomer #55	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4157.4	Standard non polar	33892256
Postin,3TMS,isomer #55	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7943.5	Standard polar	33892256
Postin,3TMS,isomer #56	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4492.1	Semi standard non polar	33892256
Postin,3TMS,isomer #56	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4153.9	Standard non polar	33892256
Postin,3TMS,isomer #56	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7932.1	Standard polar	33892256
Postin,3TMS,isomer #57	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4536.0	Semi standard non polar	33892256
Postin,3TMS,isomer #57	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4168.8	Standard non polar	33892256
Postin,3TMS,isomer #57	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7900.7	Standard polar	33892256
Postin,3TMS,isomer #58	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4444.0	Semi standard non polar	33892256
Postin,3TMS,isomer #58	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4053.4	Standard non polar	33892256
Postin,3TMS,isomer #58	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7910.9	Standard polar	33892256
Postin,3TMS,isomer #59	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4505.0	Semi standard non polar	33892256
Postin,3TMS,isomer #59	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4076.4	Standard non polar	33892256
Postin,3TMS,isomer #59	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7880.8	Standard polar	33892256
Postin,3TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4472.5	Semi standard non polar	33892256
Postin,3TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4040.1	Standard non polar	33892256
Postin,3TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7995.2	Standard polar	33892256
Postin,3TMS,isomer #60	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4504.1	Semi standard non polar	33892256
Postin,3TMS,isomer #60	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4075.5	Standard non polar	33892256
Postin,3TMS,isomer #60	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7865.2	Standard polar	33892256
Postin,3TMS,isomer #61	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4283.8	Semi standard non polar	33892256
Postin,3TMS,isomer #61	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3909.2	Standard non polar	33892256
Postin,3TMS,isomer #61	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	8145.9	Standard polar	33892256
Postin,3TMS,isomer #62	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	4349.2	Semi standard non polar	33892256
Postin,3TMS,isomer #62	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	4015.7	Standard non polar	33892256
Postin,3TMS,isomer #62	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	8123.7	Standard polar	33892256
Postin,3TMS,isomer #63	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4304.6	Semi standard non polar	33892256
Postin,3TMS,isomer #63	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3985.0	Standard non polar	33892256
Postin,3TMS,isomer #63	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	8123.9	Standard polar	33892256
Postin,3TMS,isomer #64	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4331.6	Semi standard non polar	33892256
Postin,3TMS,isomer #64	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3999.8	Standard non polar	33892256
Postin,3TMS,isomer #64	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	8143.7	Standard polar	33892256
Postin,3TMS,isomer #65	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4264.4	Semi standard non polar	33892256
Postin,3TMS,isomer #65	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3978.9	Standard non polar	33892256
Postin,3TMS,isomer #65	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	8139.9	Standard polar	33892256
Postin,3TMS,isomer #66	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4352.2	Semi standard non polar	33892256
Postin,3TMS,isomer #66	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4009.3	Standard non polar	33892256
Postin,3TMS,isomer #66	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8173.0	Standard polar	33892256
Postin,3TMS,isomer #67	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4373.5	Semi standard non polar	33892256
Postin,3TMS,isomer #67	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4020.6	Standard non polar	33892256
Postin,3TMS,isomer #67	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	8127.7	Standard polar	33892256
Postin,3TMS,isomer #68	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4315.3	Semi standard non polar	33892256
Postin,3TMS,isomer #68	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3980.9	Standard non polar	33892256
Postin,3TMS,isomer #68	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	8128.7	Standard polar	33892256
Postin,3TMS,isomer #69	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4405.2	Semi standard non polar	33892256
Postin,3TMS,isomer #69	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3979.2	Standard non polar	33892256
Postin,3TMS,isomer #69	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8163.8	Standard polar	33892256
Postin,3TMS,isomer #7	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4541.4	Semi standard non polar	33892256
Postin,3TMS,isomer #7	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4033.0	Standard non polar	33892256
Postin,3TMS,isomer #7	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	7972.8	Standard polar	33892256
Postin,3TMS,isomer #70	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4390.0	Semi standard non polar	33892256
Postin,3TMS,isomer #70	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4013.9	Standard non polar	33892256
Postin,3TMS,isomer #70	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	8171.5	Standard polar	33892256
Postin,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4663.6	Semi standard non polar	33892256
Postin,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4078.2	Standard non polar	33892256
Postin,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	8233.2	Standard polar	33892256
Postin,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4434.9	Semi standard non polar	33892256
Postin,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3990.7	Standard non polar	33892256
Postin,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	8062.2	Standard polar	33892256
Postin,4TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4737.4	Semi standard non polar	33892256
Postin,4TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4174.0	Standard non polar	33892256
Postin,4TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	7516.9	Standard polar	33892256
Postin,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4455.9	Semi standard non polar	33892256
Postin,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4141.9	Standard non polar	33892256
Postin,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7524.1	Standard polar	33892256
Postin,4TMS,isomer #100	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4397.7	Semi standard non polar	33892256
Postin,4TMS,isomer #100	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3937.0	Standard non polar	33892256
Postin,4TMS,isomer #100	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7330.2	Standard polar	33892256
Postin,4TMS,isomer #101	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4450.8	Semi standard non polar	33892256
Postin,4TMS,isomer #101	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3901.3	Standard non polar	33892256
Postin,4TMS,isomer #101	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7327.9	Standard polar	33892256
Postin,4TMS,isomer #102	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4327.0	Semi standard non polar	33892256
Postin,4TMS,isomer #102	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3915.8	Standard non polar	33892256
Postin,4TMS,isomer #102	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	7429.5	Standard polar	33892256
Postin,4TMS,isomer #103	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4389.4	Semi standard non polar	33892256
Postin,4TMS,isomer #103	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3903.8	Standard non polar	33892256
Postin,4TMS,isomer #103	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	7425.9	Standard polar	33892256
Postin,4TMS,isomer #104	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4394.4	Semi standard non polar	33892256
Postin,4TMS,isomer #104	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3902.7	Standard non polar	33892256
Postin,4TMS,isomer #104	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	7408.4	Standard polar	33892256
Postin,4TMS,isomer #105	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4389.8	Semi standard non polar	33892256
Postin,4TMS,isomer #105	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4094.7	Standard non polar	33892256
Postin,4TMS,isomer #105	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7456.2	Standard polar	33892256
Postin,4TMS,isomer #106	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4435.7	Semi standard non polar	33892256
Postin,4TMS,isomer #106	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4099.4	Standard non polar	33892256
Postin,4TMS,isomer #106	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7452.1	Standard polar	33892256
Postin,4TMS,isomer #107	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4424.7	Semi standard non polar	33892256
Postin,4TMS,isomer #107	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4093.2	Standard non polar	33892256
Postin,4TMS,isomer #107	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7435.4	Standard polar	33892256
Postin,4TMS,isomer #108	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4399.9	Semi standard non polar	33892256
Postin,4TMS,isomer #108	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4008.7	Standard non polar	33892256
Postin,4TMS,isomer #108	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7419.0	Standard polar	33892256
Postin,4TMS,isomer #109	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4292.5	Semi standard non polar	33892256
Postin,4TMS,isomer #109	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3970.9	Standard non polar	33892256
Postin,4TMS,isomer #109	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	7787.7	Standard polar	33892256
Postin,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4436.5	Semi standard non polar	33892256
Postin,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4130.0	Standard non polar	33892256
Postin,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7475.4	Standard polar	33892256
Postin,4TMS,isomer #110	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4205.0	Semi standard non polar	33892256
Postin,4TMS,isomer #110	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3923.4	Standard non polar	33892256
Postin,4TMS,isomer #110	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7815.7	Standard polar	33892256
Postin,4TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4279.8	Semi standard non polar	33892256
Postin,4TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3907.2	Standard non polar	33892256
Postin,4TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7851.1	Standard polar	33892256
Postin,4TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4245.5	Semi standard non polar	33892256
Postin,4TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3933.3	Standard non polar	33892256
Postin,4TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7850.8	Standard polar	33892256
Postin,4TMS,isomer #113	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4307.7	Semi standard non polar	33892256
Postin,4TMS,isomer #113	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3905.9	Standard non polar	33892256
Postin,4TMS,isomer #113	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7853.5	Standard polar	33892256
Postin,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4485.8	Semi standard non polar	33892256
Postin,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4117.1	Standard non polar	33892256
Postin,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	7480.6	Standard polar	33892256
Postin,4TMS,isomer #13	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4439.7	Semi standard non polar	33892256
Postin,4TMS,isomer #13	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3890.9	Standard non polar	33892256
Postin,4TMS,isomer #13	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7427.9	Standard polar	33892256
Postin,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4368.0	Semi standard non polar	33892256
Postin,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	3909.8	Standard non polar	33892256
Postin,4TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	7549.2	Standard polar	33892256
Postin,4TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4345.6	Semi standard non polar	33892256
Postin,4TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3889.7	Standard non polar	33892256
Postin,4TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7501.5	Standard polar	33892256
Postin,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4411.8	Semi standard non polar	33892256
Postin,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3865.0	Standard non polar	33892256
Postin,4TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7506.0	Standard polar	33892256
Postin,4TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4448.1	Semi standard non polar	33892256
Postin,4TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4085.6	Standard non polar	33892256
Postin,4TMS,isomer #17	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7572.3	Standard polar	33892256
Postin,4TMS,isomer #18	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4407.5	Semi standard non polar	33892256
Postin,4TMS,isomer #18	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4068.9	Standard non polar	33892256
Postin,4TMS,isomer #18	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7524.0	Standard polar	33892256
Postin,4TMS,isomer #19	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4469.7	Semi standard non polar	33892256
Postin,4TMS,isomer #19	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4053.7	Standard non polar	33892256
Postin,4TMS,isomer #19	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7527.4	Standard polar	33892256
Postin,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4527.1	Semi standard non polar	33892256
Postin,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4094.9	Standard non polar	33892256
Postin,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7357.1	Standard polar	33892256
Postin,4TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4376.2	Semi standard non polar	33892256
Postin,4TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3990.9	Standard non polar	33892256
Postin,4TMS,isomer #20	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7540.7	Standard polar	33892256
Postin,4TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4450.3	Semi standard non polar	33892256
Postin,4TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3996.8	Standard non polar	33892256
Postin,4TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7538.7	Standard polar	33892256
Postin,4TMS,isomer #22	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4430.9	Semi standard non polar	33892256
Postin,4TMS,isomer #22	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3987.7	Standard non polar	33892256
Postin,4TMS,isomer #22	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7489.8	Standard polar	33892256
Postin,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4637.7	Semi standard non polar	33892256
Postin,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4129.5	Standard non polar	33892256
Postin,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	7734.7	Standard polar	33892256
Postin,4TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4538.1	Semi standard non polar	33892256
Postin,4TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	4107.4	Standard non polar	33892256
Postin,4TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C	7776.3	Standard polar	33892256
Postin,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4528.8	Semi standard non polar	33892256
Postin,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4044.4	Standard non polar	33892256
Postin,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7804.0	Standard polar	33892256
Postin,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4502.8	Semi standard non polar	33892256
Postin,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4030.4	Standard non polar	33892256
Postin,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7762.5	Standard polar	33892256
Postin,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4593.6	Semi standard non polar	33892256
Postin,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4034.5	Standard non polar	33892256
Postin,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	7761.7	Standard polar	33892256
Postin,4TMS,isomer #28	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4320.0	Semi standard non polar	33892256
Postin,4TMS,isomer #28	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	3945.9	Standard non polar	33892256
Postin,4TMS,isomer #28	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7646.2	Standard polar	33892256
Postin,4TMS,isomer #29	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4398.1	Semi standard non polar	33892256
Postin,4TMS,isomer #29	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4041.3	Standard non polar	33892256
Postin,4TMS,isomer #29	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7575.2	Standard polar	33892256
Postin,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4608.2	Semi standard non polar	33892256
Postin,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4094.5	Standard non polar	33892256
Postin,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	7317.9	Standard polar	33892256
Postin,4TMS,isomer #30	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4325.0	Semi standard non polar	33892256
Postin,4TMS,isomer #30	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4025.1	Standard non polar	33892256
Postin,4TMS,isomer #30	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7617.9	Standard polar	33892256
Postin,4TMS,isomer #31	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4385.9	Semi standard non polar	33892256
Postin,4TMS,isomer #31	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3946.2	Standard non polar	33892256
Postin,4TMS,isomer #31	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7596.9	Standard polar	33892256
Postin,4TMS,isomer #32	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4409.2	Semi standard non polar	33892256
Postin,4TMS,isomer #32	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3952.1	Standard non polar	33892256
Postin,4TMS,isomer #32	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7643.0	Standard polar	33892256
Postin,4TMS,isomer #33	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4467.1	Semi standard non polar	33892256
Postin,4TMS,isomer #33	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4031.5	Standard non polar	33892256
Postin,4TMS,isomer #33	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7578.1	Standard polar	33892256
Postin,4TMS,isomer #34	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4395.4	Semi standard non polar	33892256
Postin,4TMS,isomer #34	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4011.8	Standard non polar	33892256
Postin,4TMS,isomer #34	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	7619.6	Standard polar	33892256
Postin,4TMS,isomer #35	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4431.6	Semi standard non polar	33892256
Postin,4TMS,isomer #35	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4058.6	Standard non polar	33892256
Postin,4TMS,isomer #35	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7619.3	Standard polar	33892256
Postin,4TMS,isomer #36	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4345.9	Semi standard non polar	33892256
Postin,4TMS,isomer #36	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4039.2	Standard non polar	33892256
Postin,4TMS,isomer #36	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7661.9	Standard polar	33892256
Postin,4TMS,isomer #37	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4436.8	Semi standard non polar	33892256
Postin,4TMS,isomer #37	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4000.5	Standard non polar	33892256
Postin,4TMS,isomer #37	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7642.4	Standard polar	33892256
Postin,4TMS,isomer #38	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4283.9	Semi standard non polar	33892256
Postin,4TMS,isomer #38	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3904.9	Standard non polar	33892256
Postin,4TMS,isomer #38	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7932.2	Standard polar	33892256
Postin,4TMS,isomer #39	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4250.3	Semi standard non polar	33892256
Postin,4TMS,isomer #39	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3882.9	Standard non polar	33892256
Postin,4TMS,isomer #39	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7902.7	Standard polar	33892256
Postin,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4540.7	Semi standard non polar	33892256
Postin,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4108.1	Standard non polar	33892256
Postin,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7417.8	Standard polar	33892256
Postin,4TMS,isomer #40	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4337.8	Semi standard non polar	33892256
Postin,4TMS,isomer #40	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3843.4	Standard non polar	33892256
Postin,4TMS,isomer #40	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7916.0	Standard polar	33892256
Postin,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4282.8	Semi standard non polar	33892256
Postin,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3948.2	Standard non polar	33892256
Postin,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7873.7	Standard polar	33892256
Postin,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4339.6	Semi standard non polar	33892256
Postin,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3949.0	Standard non polar	33892256
Postin,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7882.7	Standard polar	33892256
Postin,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4311.3	Semi standard non polar	33892256
Postin,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3938.5	Standard non polar	33892256
Postin,4TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7848.1	Standard polar	33892256
Postin,4TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4179.5	Semi standard non polar	33892256
Postin,4TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3904.9	Standard non polar	33892256
Postin,4TMS,isomer #44	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7895.8	Standard polar	33892256
Postin,4TMS,isomer #45	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4239.9	Semi standard non polar	33892256
Postin,4TMS,isomer #45	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3904.6	Standard non polar	33892256
Postin,4TMS,isomer #45	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7906.5	Standard polar	33892256
Postin,4TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4214.5	Semi standard non polar	33892256
Postin,4TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3893.9	Standard non polar	33892256
Postin,4TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7873.9	Standard polar	33892256
Postin,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4249.1	Semi standard non polar	33892256
Postin,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3841.2	Standard non polar	33892256
Postin,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7879.5	Standard polar	33892256
Postin,4TMS,isomer #48	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4814.5	Semi standard non polar	33892256
Postin,4TMS,isomer #48	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4353.2	Standard non polar	33892256
Postin,4TMS,isomer #48	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7322.9	Standard polar	33892256
Postin,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4705.7	Semi standard non polar	33892256
Postin,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	4134.7	Standard non polar	33892256
Postin,4TMS,isomer #49	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C	7425.2	Standard polar	33892256
Postin,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4593.3	Semi standard non polar	33892256
Postin,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4178.9	Standard non polar	33892256
Postin,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7364.0	Standard polar	33892256
Postin,4TMS,isomer #50	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4781.9	Semi standard non polar	33892256
Postin,4TMS,isomer #50	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4293.6	Standard non polar	33892256
Postin,4TMS,isomer #50	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	7413.6	Standard polar	33892256
Postin,4TMS,isomer #51	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4711.7	Semi standard non polar	33892256
Postin,4TMS,isomer #51	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4204.6	Standard non polar	33892256
Postin,4TMS,isomer #51	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7417.4	Standard polar	33892256
Postin,4TMS,isomer #52	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4699.4	Semi standard non polar	33892256
Postin,4TMS,isomer #52	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4192.9	Standard non polar	33892256
Postin,4TMS,isomer #52	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	7393.1	Standard polar	33892256
Postin,4TMS,isomer #53	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4764.2	Semi standard non polar	33892256
Postin,4TMS,isomer #53	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4209.9	Standard non polar	33892256
Postin,4TMS,isomer #53	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	7354.8	Standard polar	33892256
Postin,4TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4484.9	Semi standard non polar	33892256
Postin,4TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4110.7	Standard non polar	33892256
Postin,4TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7266.9	Standard polar	33892256
Postin,4TMS,isomer #55	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4541.3	Semi standard non polar	33892256
Postin,4TMS,isomer #55	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4204.2	Standard non polar	33892256
Postin,4TMS,isomer #55	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7258.0	Standard polar	33892256
Postin,4TMS,isomer #56	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4498.1	Semi standard non polar	33892256
Postin,4TMS,isomer #56	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4057.1	Standard non polar	33892256
Postin,4TMS,isomer #56	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	7281.7	Standard polar	33892256
Postin,4TMS,isomer #57	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4574.3	Semi standard non polar	33892256
Postin,4TMS,isomer #57	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4267.8	Standard non polar	33892256
Postin,4TMS,isomer #57	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7164.2	Standard polar	33892256
Postin,4TMS,isomer #58	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4570.6	Semi standard non polar	33892256
Postin,4TMS,isomer #58	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4124.1	Standard non polar	33892256
Postin,4TMS,isomer #58	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7194.0	Standard polar	33892256
Postin,4TMS,isomer #59	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4560.3	Semi standard non polar	33892256
Postin,4TMS,isomer #59	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4128.2	Standard non polar	33892256
Postin,4TMS,isomer #59	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7232.4	Standard polar	33892256
Postin,4TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4532.8	Semi standard non polar	33892256
Postin,4TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4034.7	Standard non polar	33892256
Postin,4TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7393.4	Standard polar	33892256
Postin,4TMS,isomer #60	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4600.2	Semi standard non polar	33892256
Postin,4TMS,isomer #60	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4215.4	Standard non polar	33892256
Postin,4TMS,isomer #60	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7222.7	Standard polar	33892256
Postin,4TMS,isomer #61	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4574.1	Semi standard non polar	33892256
Postin,4TMS,isomer #61	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4037.2	Standard non polar	33892256
Postin,4TMS,isomer #61	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	7246.5	Standard polar	33892256
Postin,4TMS,isomer #62	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4619.1	Semi standard non polar	33892256
Postin,4TMS,isomer #62	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4282.4	Standard non polar	33892256
Postin,4TMS,isomer #62	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7134.0	Standard polar	33892256
Postin,4TMS,isomer #63	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4564.8	Semi standard non polar	33892256
Postin,4TMS,isomer #63	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4216.8	Standard non polar	33892256
Postin,4TMS,isomer #63	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7282.5	Standard polar	33892256
Postin,4TMS,isomer #64	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4509.7	Semi standard non polar	33892256
Postin,4TMS,isomer #64	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4065.6	Standard non polar	33892256
Postin,4TMS,isomer #64	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	7307.8	Standard polar	33892256
Postin,4TMS,isomer #65	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4583.0	Semi standard non polar	33892256
Postin,4TMS,isomer #65	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4273.3	Standard non polar	33892256
Postin,4TMS,isomer #65	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7190.7	Standard polar	33892256
Postin,4TMS,isomer #66	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4590.7	Semi standard non polar	33892256
Postin,4TMS,isomer #66	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4100.1	Standard non polar	33892256
Postin,4TMS,isomer #66	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	7195.9	Standard polar	33892256
Postin,4TMS,isomer #67	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4658.4	Semi standard non polar	33892256
Postin,4TMS,isomer #67	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4378.2	Standard non polar	33892256
Postin,4TMS,isomer #67	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7232.5	Standard polar	33892256
Postin,4TMS,isomer #68	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4595.2	Semi standard non polar	33892256
Postin,4TMS,isomer #68	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4176.5	Standard non polar	33892256
Postin,4TMS,isomer #68	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7148.3	Standard polar	33892256
Postin,4TMS,isomer #69	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4555.4	Semi standard non polar	33892256
Postin,4TMS,isomer #69	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4062.2	Standard non polar	33892256
Postin,4TMS,isomer #69	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	7668.0	Standard polar	33892256
Postin,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4631.2	Semi standard non polar	33892256
Postin,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4242.9	Standard non polar	33892256
Postin,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7267.3	Standard polar	33892256
Postin,4TMS,isomer #70	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4490.6	Semi standard non polar	33892256
Postin,4TMS,isomer #70	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4049.7	Standard non polar	33892256
Postin,4TMS,isomer #70	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	7691.3	Standard polar	33892256
Postin,4TMS,isomer #71	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	4590.4	Semi standard non polar	33892256
Postin,4TMS,isomer #71	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	4153.7	Standard non polar	33892256
Postin,4TMS,isomer #71	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N	7650.9	Standard polar	33892256
Postin,4TMS,isomer #72	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4511.9	Semi standard non polar	33892256
Postin,4TMS,isomer #72	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	4131.2	Standard non polar	33892256
Postin,4TMS,isomer #72	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O	7691.4	Standard polar	33892256
Postin,4TMS,isomer #73	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4562.9	Semi standard non polar	33892256
Postin,4TMS,isomer #73	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	4069.9	Standard non polar	33892256
Postin,4TMS,isomer #73	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	7684.7	Standard polar	33892256
Postin,4TMS,isomer #74	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	4653.2	Semi standard non polar	33892256
Postin,4TMS,isomer #74	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	4166.5	Standard non polar	33892256
Postin,4TMS,isomer #74	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	7643.6	Standard polar	33892256
Postin,4TMS,isomer #75	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4564.8	Semi standard non polar	33892256
Postin,4TMS,isomer #75	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	4131.5	Standard non polar	33892256
Postin,4TMS,isomer #75	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O	7683.0	Standard polar	33892256
Postin,4TMS,isomer #76	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	4629.4	Semi standard non polar	33892256
Postin,4TMS,isomer #76	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	4169.8	Standard non polar	33892256
Postin,4TMS,isomer #76	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N	7662.5	Standard polar	33892256
Postin,4TMS,isomer #77	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4539.8	Semi standard non polar	33892256
Postin,4TMS,isomer #77	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4144.2	Standard non polar	33892256
Postin,4TMS,isomer #77	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7703.3	Standard polar	33892256
Postin,4TMS,isomer #78	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4629.8	Semi standard non polar	33892256
Postin,4TMS,isomer #78	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4140.2	Standard non polar	33892256
Postin,4TMS,isomer #78	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	7714.8	Standard polar	33892256
Postin,4TMS,isomer #79	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4378.0	Semi standard non polar	33892256
Postin,4TMS,isomer #79	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4067.3	Standard non polar	33892256
Postin,4TMS,isomer #79	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7510.3	Standard polar	33892256
Postin,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4526.2	Semi standard non polar	33892256
Postin,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4217.2	Standard non polar	33892256
Postin,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	7539.3	Standard polar	33892256
Postin,4TMS,isomer #80	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4310.8	Semi standard non polar	33892256
Postin,4TMS,isomer #80	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4047.0	Standard non polar	33892256
Postin,4TMS,isomer #80	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7554.0	Standard polar	33892256
Postin,4TMS,isomer #81	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4352.5	Semi standard non polar	33892256
Postin,4TMS,isomer #81	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3969.1	Standard non polar	33892256
Postin,4TMS,isomer #81	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7528.1	Standard polar	33892256
Postin,4TMS,isomer #82	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4395.3	Semi standard non polar	33892256
Postin,4TMS,isomer #82	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4039.5	Standard non polar	33892256
Postin,4TMS,isomer #82	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7565.2	Standard polar	33892256
Postin,4TMS,isomer #83	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4417.3	Semi standard non polar	33892256
Postin,4TMS,isomer #83	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4070.1	Standard non polar	33892256
Postin,4TMS,isomer #83	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7490.6	Standard polar	33892256
Postin,4TMS,isomer #84	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4371.6	Semi standard non polar	33892256
Postin,4TMS,isomer #84	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4046.8	Standard non polar	33892256
Postin,4TMS,isomer #84	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7532.4	Standard polar	33892256
Postin,4TMS,isomer #85	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4429.9	Semi standard non polar	33892256
Postin,4TMS,isomer #85	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4080.5	Standard non polar	33892256
Postin,4TMS,isomer #85	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7506.4	Standard polar	33892256
Postin,4TMS,isomer #86	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4373.2	Semi standard non polar	33892256
Postin,4TMS,isomer #86	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4049.1	Standard non polar	33892256
Postin,4TMS,isomer #86	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7548.9	Standard polar	33892256
Postin,4TMS,isomer #87	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4467.2	Semi standard non polar	33892256
Postin,4TMS,isomer #87	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4013.0	Standard non polar	33892256
Postin,4TMS,isomer #87	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7558.3	Standard polar	33892256
Postin,4TMS,isomer #88	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4422.4	Semi standard non polar	33892256
Postin,4TMS,isomer #88	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4054.2	Standard non polar	33892256
Postin,4TMS,isomer #88	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7576.9	Standard polar	33892256
Postin,4TMS,isomer #89	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4474.7	Semi standard non polar	33892256
Postin,4TMS,isomer #89	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4089.4	Standard non polar	33892256
Postin,4TMS,isomer #89	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7242.4	Standard polar	33892256
Postin,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4437.8	Semi standard non polar	33892256
Postin,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3968.9	Standard non polar	33892256
Postin,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7419.7	Standard polar	33892256
Postin,4TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4429.7	Semi standard non polar	33892256
Postin,4TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4017.0	Standard non polar	33892256
Postin,4TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7340.7	Standard polar	33892256
Postin,4TMS,isomer #91	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4409.1	Semi standard non polar	33892256
Postin,4TMS,isomer #91	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4016.8	Standard non polar	33892256
Postin,4TMS,isomer #91	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7326.8	Standard polar	33892256
Postin,4TMS,isomer #92	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4447.1	Semi standard non polar	33892256
Postin,4TMS,isomer #92	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3977.9	Standard non polar	33892256
Postin,4TMS,isomer #92	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7325.2	Standard polar	33892256
Postin,4TMS,isomer #93	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4501.5	Semi standard non polar	33892256
Postin,4TMS,isomer #93	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4257.1	Standard non polar	33892256
Postin,4TMS,isomer #93	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7463.5	Standard polar	33892256
Postin,4TMS,isomer #94	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4467.6	Semi standard non polar	33892256
Postin,4TMS,isomer #94	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4251.5	Standard non polar	33892256
Postin,4TMS,isomer #94	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7451.0	Standard polar	33892256
Postin,4TMS,isomer #95	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4518.6	Semi standard non polar	33892256
Postin,4TMS,isomer #95	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4260.3	Standard non polar	33892256
Postin,4TMS,isomer #95	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7445.1	Standard polar	33892256
Postin,4TMS,isomer #96	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4408.3	Semi standard non polar	33892256
Postin,4TMS,isomer #96	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4149.2	Standard non polar	33892256
Postin,4TMS,isomer #96	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7412.8	Standard polar	33892256
Postin,4TMS,isomer #97	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4451.0	Semi standard non polar	33892256
Postin,4TMS,isomer #97	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4153.8	Standard non polar	33892256
Postin,4TMS,isomer #97	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7410.3	Standard polar	33892256
Postin,4TMS,isomer #98	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4450.6	Semi standard non polar	33892256
Postin,4TMS,isomer #98	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4156.7	Standard non polar	33892256
Postin,4TMS,isomer #98	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7393.0	Standard polar	33892256
Postin,4TMS,isomer #99	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4427.5	Semi standard non polar	33892256
Postin,4TMS,isomer #99	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3952.0	Standard non polar	33892256
Postin,4TMS,isomer #99	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7343.4	Standard polar	33892256
Postin,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4701.2	Semi standard non polar	33892256
Postin,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4271.5	Standard non polar	33892256
Postin,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	6906.1	Standard polar	33892256
Postin,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4484.4	Semi standard non polar	33892256
Postin,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4193.1	Standard non polar	33892256
Postin,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6713.0	Standard polar	33892256
Postin,5TMS,isomer #100	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4474.5	Semi standard non polar	33892256
Postin,5TMS,isomer #100	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4073.7	Standard non polar	33892256
Postin,5TMS,isomer #100	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6656.3	Standard polar	33892256
Postin,5TMS,isomer #101	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4495.4	Semi standard non polar	33892256
Postin,5TMS,isomer #101	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4174.3	Standard non polar	33892256
Postin,5TMS,isomer #101	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6508.8	Standard polar	33892256
Postin,5TMS,isomer #102	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4496.2	Semi standard non polar	33892256
Postin,5TMS,isomer #102	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4020.3	Standard non polar	33892256
Postin,5TMS,isomer #102	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	7276.8	Standard polar	33892256
Postin,5TMS,isomer #103	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	4578.6	Semi standard non polar	33892256
Postin,5TMS,isomer #103	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	4119.3	Standard non polar	33892256
Postin,5TMS,isomer #103	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	7261.1	Standard polar	33892256
Postin,5TMS,isomer #104	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4491.7	Semi standard non polar	33892256
Postin,5TMS,isomer #104	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4077.6	Standard non polar	33892256
Postin,5TMS,isomer #104	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	7332.0	Standard polar	33892256
Postin,5TMS,isomer #105	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4530.2	Semi standard non polar	33892256
Postin,5TMS,isomer #105	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4130.8	Standard non polar	33892256
Postin,5TMS,isomer #105	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N	7266.8	Standard polar	33892256
Postin,5TMS,isomer #106	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4429.2	Semi standard non polar	33892256
Postin,5TMS,isomer #106	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4092.9	Standard non polar	33892256
Postin,5TMS,isomer #106	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7336.7	Standard polar	33892256
Postin,5TMS,isomer #107	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4500.4	Semi standard non polar	33892256
Postin,5TMS,isomer #107	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4064.0	Standard non polar	33892256
Postin,5TMS,isomer #107	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7359.1	Standard polar	33892256
Postin,5TMS,isomer #108	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4598.6	Semi standard non polar	33892256
Postin,5TMS,isomer #108	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	4134.1	Standard non polar	33892256
Postin,5TMS,isomer #108	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	7278.0	Standard polar	33892256
Postin,5TMS,isomer #109	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4493.9	Semi standard non polar	33892256
Postin,5TMS,isomer #109	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4088.0	Standard non polar	33892256
Postin,5TMS,isomer #109	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7349.7	Standard polar	33892256
Postin,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4494.8	Semi standard non polar	33892256
Postin,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4046.0	Standard non polar	33892256
Postin,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	6746.0	Standard polar	33892256
Postin,5TMS,isomer #110	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4576.7	Semi standard non polar	33892256
Postin,5TMS,isomer #110	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4045.4	Standard non polar	33892256
Postin,5TMS,isomer #110	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7367.8	Standard polar	33892256
Postin,5TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4545.4	Semi standard non polar	33892256
Postin,5TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4091.8	Standard non polar	33892256
Postin,5TMS,isomer #111	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7372.7	Standard polar	33892256
Postin,5TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4316.2	Semi standard non polar	33892256
Postin,5TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3993.3	Standard non polar	33892256
Postin,5TMS,isomer #112	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7228.5	Standard polar	33892256
Postin,5TMS,isomer #113	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4377.6	Semi standard non polar	33892256
Postin,5TMS,isomer #113	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4028.3	Standard non polar	33892256
Postin,5TMS,isomer #113	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7132.9	Standard polar	33892256
Postin,5TMS,isomer #114	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4299.3	Semi standard non polar	33892256
Postin,5TMS,isomer #114	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3992.3	Standard non polar	33892256
Postin,5TMS,isomer #114	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7204.2	Standard polar	33892256
Postin,5TMS,isomer #115	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4371.1	Semi standard non polar	33892256
Postin,5TMS,isomer #115	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3957.2	Standard non polar	33892256
Postin,5TMS,isomer #115	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7225.5	Standard polar	33892256
Postin,5TMS,isomer #116	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4387.9	Semi standard non polar	33892256
Postin,5TMS,isomer #116	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3964.8	Standard non polar	33892256
Postin,5TMS,isomer #116	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7241.2	Standard polar	33892256
Postin,5TMS,isomer #117	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4362.5	Semi standard non polar	33892256
Postin,5TMS,isomer #117	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4025.2	Standard non polar	33892256
Postin,5TMS,isomer #117	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6809.2	Standard polar	33892256
Postin,5TMS,isomer #118	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4326.0	Semi standard non polar	33892256
Postin,5TMS,isomer #118	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4011.3	Standard non polar	33892256
Postin,5TMS,isomer #118	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6788.9	Standard polar	33892256
Postin,5TMS,isomer #119	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4392.4	Semi standard non polar	33892256
Postin,5TMS,isomer #119	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3971.9	Standard non polar	33892256
Postin,5TMS,isomer #119	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6804.2	Standard polar	33892256
Postin,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4503.4	Semi standard non polar	33892256
Postin,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4063.4	Standard non polar	33892256
Postin,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6823.2	Standard polar	33892256
Postin,5TMS,isomer #120	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4317.7	Semi standard non polar	33892256
Postin,5TMS,isomer #120	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3939.1	Standard non polar	33892256
Postin,5TMS,isomer #120	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6927.0	Standard polar	33892256
Postin,5TMS,isomer #121	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4372.9	Semi standard non polar	33892256
Postin,5TMS,isomer #121	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3905.0	Standard non polar	33892256
Postin,5TMS,isomer #121	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6942.5	Standard polar	33892256
Postin,5TMS,isomer #122	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4370.6	Semi standard non polar	33892256
Postin,5TMS,isomer #122	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3903.8	Standard non polar	33892256
Postin,5TMS,isomer #122	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6924.3	Standard polar	33892256
Postin,5TMS,isomer #123	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4370.5	Semi standard non polar	33892256
Postin,5TMS,isomer #123	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4186.9	Standard non polar	33892256
Postin,5TMS,isomer #123	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7023.3	Standard polar	33892256
Postin,5TMS,isomer #124	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4441.2	Semi standard non polar	33892256
Postin,5TMS,isomer #124	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4186.1	Standard non polar	33892256
Postin,5TMS,isomer #124	C[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7037.6	Standard polar	33892256
Postin,5TMS,isomer #125	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4419.1	Semi standard non polar	33892256
Postin,5TMS,isomer #125	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4179.0	Standard non polar	33892256
Postin,5TMS,isomer #125	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	7019.6	Standard polar	33892256
Postin,5TMS,isomer #126	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4388.1	Semi standard non polar	33892256
Postin,5TMS,isomer #126	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4092.3	Standard non polar	33892256
Postin,5TMS,isomer #126	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6994.6	Standard polar	33892256
Postin,5TMS,isomer #127	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4298.1	Semi standard non polar	33892256
Postin,5TMS,isomer #127	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3878.0	Standard non polar	33892256
Postin,5TMS,isomer #127	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6930.5	Standard polar	33892256
Postin,5TMS,isomer #128	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4362.9	Semi standard non polar	33892256
Postin,5TMS,isomer #128	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3856.0	Standard non polar	33892256
Postin,5TMS,isomer #128	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6945.8	Standard polar	33892256
Postin,5TMS,isomer #129	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4347.1	Semi standard non polar	33892256
Postin,5TMS,isomer #129	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3842.2	Standard non polar	33892256
Postin,5TMS,isomer #129	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6927.5	Standard polar	33892256
Postin,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4530.2	Semi standard non polar	33892256
Postin,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4122.8	Standard non polar	33892256
Postin,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6792.6	Standard polar	33892256
Postin,5TMS,isomer #130	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4311.8	Semi standard non polar	33892256
Postin,5TMS,isomer #130	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3836.1	Standard non polar	33892256
Postin,5TMS,isomer #130	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	7031.6	Standard polar	33892256
Postin,5TMS,isomer #131	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4369.2	Semi standard non polar	33892256
Postin,5TMS,isomer #131	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4044.2	Standard non polar	33892256
Postin,5TMS,isomer #131	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7038.1	Standard polar	33892256
Postin,5TMS,isomer #132	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4254.0	Semi standard non polar	33892256
Postin,5TMS,isomer #132	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3862.7	Standard non polar	33892256
Postin,5TMS,isomer #132	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7570.7	Standard polar	33892256
Postin,5TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4461.9	Semi standard non polar	33892256
Postin,5TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3955.0	Standard non polar	33892256
Postin,5TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	6827.1	Standard polar	33892256
Postin,5TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4544.9	Semi standard non polar	33892256
Postin,5TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4182.9	Standard non polar	33892256
Postin,5TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6721.8	Standard polar	33892256
Postin,5TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4491.8	Semi standard non polar	33892256
Postin,5TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4156.8	Standard non polar	33892256
Postin,5TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6852.6	Standard polar	33892256
Postin,5TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4413.9	Semi standard non polar	33892256
Postin,5TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	3989.1	Standard non polar	33892256
Postin,5TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	6893.8	Standard polar	33892256
Postin,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4484.5	Semi standard non polar	33892256
Postin,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4206.7	Standard non polar	33892256
Postin,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6780.9	Standard polar	33892256
Postin,5TMS,isomer #19	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4485.4	Semi standard non polar	33892256
Postin,5TMS,isomer #19	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3977.2	Standard non polar	33892256
Postin,5TMS,isomer #19	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6746.8	Standard polar	33892256
Postin,5TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4595.4	Semi standard non polar	33892256
Postin,5TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4047.6	Standard non polar	33892256
Postin,5TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7010.5	Standard polar	33892256
Postin,5TMS,isomer #20	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4547.4	Semi standard non polar	33892256
Postin,5TMS,isomer #20	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4265.3	Standard non polar	33892256
Postin,5TMS,isomer #20	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6787.1	Standard polar	33892256
Postin,5TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4491.6	Semi standard non polar	33892256
Postin,5TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4039.3	Standard non polar	33892256
Postin,5TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6720.6	Standard polar	33892256
Postin,5TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4377.7	Semi standard non polar	33892256
Postin,5TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3971.5	Standard non polar	33892256
Postin,5TMS,isomer #22	C[Si](C)(C)N=C(N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6892.1	Standard polar	33892256
Postin,5TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4431.2	Semi standard non polar	33892256
Postin,5TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4174.2	Standard non polar	33892256
Postin,5TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7140.2	Standard polar	33892256
Postin,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4390.6	Semi standard non polar	33892256
Postin,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4153.5	Standard non polar	33892256
Postin,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7087.3	Standard polar	33892256
Postin,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4468.5	Semi standard non polar	33892256
Postin,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4138.9	Standard non polar	33892256
Postin,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	7109.2	Standard polar	33892256
Postin,5TMS,isomer #26	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4338.6	Semi standard non polar	33892256
Postin,5TMS,isomer #26	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3923.1	Standard non polar	33892256
Postin,5TMS,isomer #26	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7045.5	Standard polar	33892256
Postin,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4332.7	Semi standard non polar	33892256
Postin,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3900.3	Standard non polar	33892256
Postin,5TMS,isomer #27	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6994.4	Standard polar	33892256
Postin,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4380.3	Semi standard non polar	33892256
Postin,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3862.1	Standard non polar	33892256
Postin,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7016.1	Standard polar	33892256
Postin,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4338.9	Semi standard non polar	33892256
Postin,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4080.8	Standard non polar	33892256
Postin,5TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7089.6	Standard polar	33892256
Postin,5TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4675.5	Semi standard non polar	33892256
Postin,5TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4213.8	Standard non polar	33892256
Postin,5TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6981.4	Standard polar	33892256
Postin,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4408.4	Semi standard non polar	33892256
Postin,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4084.4	Standard non polar	33892256
Postin,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7109.2	Standard polar	33892256
Postin,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4404.2	Semi standard non polar	33892256
Postin,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4071.1	Standard non polar	33892256
Postin,5TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7055.8	Standard polar	33892256
Postin,5TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4334.9	Semi standard non polar	33892256
Postin,5TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3871.8	Standard non polar	33892256
Postin,5TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7053.4	Standard polar	33892256
Postin,5TMS,isomer #33	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4313.2	Semi standard non polar	33892256
Postin,5TMS,isomer #33	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3839.2	Standard non polar	33892256
Postin,5TMS,isomer #33	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7002.5	Standard polar	33892256
Postin,5TMS,isomer #34	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4367.2	Semi standard non polar	33892256
Postin,5TMS,isomer #34	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3807.8	Standard non polar	33892256
Postin,5TMS,isomer #34	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7023.9	Standard polar	33892256
Postin,5TMS,isomer #35	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4263.1	Semi standard non polar	33892256
Postin,5TMS,isomer #35	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3848.8	Standard non polar	33892256
Postin,5TMS,isomer #35	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	7133.0	Standard polar	33892256
Postin,5TMS,isomer #36	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4316.3	Semi standard non polar	33892256
Postin,5TMS,isomer #36	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3840.7	Standard non polar	33892256
Postin,5TMS,isomer #36	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	7150.6	Standard polar	33892256
Postin,5TMS,isomer #37	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4306.4	Semi standard non polar	33892256
Postin,5TMS,isomer #37	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3816.0	Standard non polar	33892256
Postin,5TMS,isomer #37	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	7100.5	Standard polar	33892256
Postin,5TMS,isomer #38	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4340.0	Semi standard non polar	33892256
Postin,5TMS,isomer #38	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4036.9	Standard non polar	33892256
Postin,5TMS,isomer #38	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7136.6	Standard polar	33892256
Postin,5TMS,isomer #39	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4409.5	Semi standard non polar	33892256
Postin,5TMS,isomer #39	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4037.2	Standard non polar	33892256
Postin,5TMS,isomer #39	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7155.0	Standard polar	33892256
Postin,5TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4620.3	Semi standard non polar	33892256
Postin,5TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4154.4	Standard non polar	33892256
Postin,5TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7004.7	Standard polar	33892256
Postin,5TMS,isomer #40	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4385.5	Semi standard non polar	33892256
Postin,5TMS,isomer #40	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4018.4	Standard non polar	33892256
Postin,5TMS,isomer #40	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7102.2	Standard polar	33892256
Postin,5TMS,isomer #41	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4366.6	Semi standard non polar	33892256
Postin,5TMS,isomer #41	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3934.9	Standard non polar	33892256
Postin,5TMS,isomer #41	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7119.5	Standard polar	33892256
Postin,5TMS,isomer #42	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4527.9	Semi standard non polar	33892256
Postin,5TMS,isomer #42	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4038.2	Standard non polar	33892256
Postin,5TMS,isomer #42	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7437.1	Standard polar	33892256
Postin,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4563.0	Semi standard non polar	33892256
Postin,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4122.7	Standard non polar	33892256
Postin,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7380.7	Standard polar	33892256
Postin,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4513.3	Semi standard non polar	33892256
Postin,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4100.1	Standard non polar	33892256
Postin,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7334.2	Standard polar	33892256
Postin,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4607.5	Semi standard non polar	33892256
Postin,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	4092.8	Standard non polar	33892256
Postin,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C	7350.8	Standard polar	33892256
Postin,5TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4427.3	Semi standard non polar	33892256
Postin,5TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4087.0	Standard non polar	33892256
Postin,5TMS,isomer #46	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7447.7	Standard polar	33892256
Postin,5TMS,isomer #47	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4408.3	Semi standard non polar	33892256
Postin,5TMS,isomer #47	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4068.2	Standard non polar	33892256
Postin,5TMS,isomer #47	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7403.6	Standard polar	33892256
Postin,5TMS,isomer #48	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4484.2	Semi standard non polar	33892256
Postin,5TMS,isomer #48	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4055.0	Standard non polar	33892256
Postin,5TMS,isomer #48	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	7419.8	Standard polar	33892256
Postin,5TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4420.7	Semi standard non polar	33892256
Postin,5TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4010.4	Standard non polar	33892256
Postin,5TMS,isomer #49	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7381.9	Standard polar	33892256
Postin,5TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4604.4	Semi standard non polar	33892256
Postin,5TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4137.8	Standard non polar	33892256
Postin,5TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6938.7	Standard polar	33892256
Postin,5TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4502.0	Semi standard non polar	33892256
Postin,5TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4018.5	Standard non polar	33892256
Postin,5TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7398.0	Standard polar	33892256
Postin,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4490.2	Semi standard non polar	33892256
Postin,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4000.8	Standard non polar	33892256
Postin,5TMS,isomer #51	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7349.5	Standard polar	33892256
Postin,5TMS,isomer #52	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4344.4	Semi standard non polar	33892256
Postin,5TMS,isomer #52	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4020.8	Standard non polar	33892256
Postin,5TMS,isomer #52	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	7229.4	Standard polar	33892256
Postin,5TMS,isomer #53	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4247.3	Semi standard non polar	33892256
Postin,5TMS,isomer #53	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3984.2	Standard non polar	33892256
Postin,5TMS,isomer #53	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7299.4	Standard polar	33892256
Postin,5TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4328.7	Semi standard non polar	33892256
Postin,5TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3905.1	Standard non polar	33892256
Postin,5TMS,isomer #54	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7244.8	Standard polar	33892256
Postin,5TMS,isomer #55	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4321.1	Semi standard non polar	33892256
Postin,5TMS,isomer #55	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3948.3	Standard non polar	33892256
Postin,5TMS,isomer #55	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7286.1	Standard polar	33892256
Postin,5TMS,isomer #56	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4393.0	Semi standard non polar	33892256
Postin,5TMS,isomer #56	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3999.2	Standard non polar	33892256
Postin,5TMS,isomer #56	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7196.1	Standard polar	33892256
Postin,5TMS,isomer #57	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4306.7	Semi standard non polar	33892256
Postin,5TMS,isomer #57	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3968.0	Standard non polar	33892256
Postin,5TMS,isomer #57	C[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7268.0	Standard polar	33892256
Postin,5TMS,isomer #58	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4408.7	Semi standard non polar	33892256
Postin,5TMS,isomer #58	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4016.5	Standard non polar	33892256
Postin,5TMS,isomer #58	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7246.0	Standard polar	33892256
Postin,5TMS,isomer #59	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4320.6	Semi standard non polar	33892256
Postin,5TMS,isomer #59	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	3982.9	Standard non polar	33892256
Postin,5TMS,isomer #59	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	7315.1	Standard polar	33892256
Postin,5TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4673.5	Semi standard non polar	33892256
Postin,5TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	4131.0	Standard non polar	33892256
Postin,5TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	6944.8	Standard polar	33892256
Postin,5TMS,isomer #60	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4414.4	Semi standard non polar	33892256
Postin,5TMS,isomer #60	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3919.7	Standard non polar	33892256
Postin,5TMS,isomer #60	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7301.7	Standard polar	33892256
Postin,5TMS,isomer #61	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4340.8	Semi standard non polar	33892256
Postin,5TMS,isomer #61	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	3978.1	Standard non polar	33892256
Postin,5TMS,isomer #61	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	7330.6	Standard polar	33892256
Postin,5TMS,isomer #62	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4205.9	Semi standard non polar	33892256
Postin,5TMS,isomer #62	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3862.1	Standard non polar	33892256
Postin,5TMS,isomer #62	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7641.1	Standard polar	33892256
Postin,5TMS,isomer #63	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4282.8	Semi standard non polar	33892256
Postin,5TMS,isomer #63	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3839.8	Standard non polar	33892256
Postin,5TMS,isomer #63	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7663.5	Standard polar	33892256
Postin,5TMS,isomer #64	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4257.0	Semi standard non polar	33892256
Postin,5TMS,isomer #64	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3818.4	Standard non polar	33892256
Postin,5TMS,isomer #64	C[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7630.8	Standard polar	33892256
Postin,5TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4308.2	Semi standard non polar	33892256
Postin,5TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3909.2	Standard non polar	33892256
Postin,5TMS,isomer #65	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7577.0	Standard polar	33892256
Postin,5TMS,isomer #66	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4185.6	Semi standard non polar	33892256
Postin,5TMS,isomer #66	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3854.9	Standard non polar	33892256
Postin,5TMS,isomer #66	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7617.4	Standard polar	33892256
Postin,5TMS,isomer #67	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4670.1	Semi standard non polar	33892256
Postin,5TMS,isomer #67	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4287.9	Standard non polar	33892256
Postin,5TMS,isomer #67	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6810.6	Standard polar	33892256
Postin,5TMS,isomer #68	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4720.3	Semi standard non polar	33892256
Postin,5TMS,isomer #68	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4297.4	Standard non polar	33892256
Postin,5TMS,isomer #68	C[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6806.6	Standard polar	33892256
Postin,5TMS,isomer #69	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4682.6	Semi standard non polar	33892256
Postin,5TMS,isomer #69	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4301.9	Standard non polar	33892256
Postin,5TMS,isomer #69	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6840.7	Standard polar	33892256
Postin,5TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4439.6	Semi standard non polar	33892256
Postin,5TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4056.0	Standard non polar	33892256
Postin,5TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6816.4	Standard polar	33892256
Postin,5TMS,isomer #70	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4750.9	Semi standard non polar	33892256
Postin,5TMS,isomer #70	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4387.8	Standard non polar	33892256
Postin,5TMS,isomer #70	C[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	6882.5	Standard polar	33892256
Postin,5TMS,isomer #71	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4664.4	Semi standard non polar	33892256
Postin,5TMS,isomer #71	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4152.6	Standard non polar	33892256
Postin,5TMS,isomer #71	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6793.1	Standard polar	33892256
Postin,5TMS,isomer #72	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4650.0	Semi standard non polar	33892256
Postin,5TMS,isomer #72	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	4084.2	Standard non polar	33892256
Postin,5TMS,isomer #72	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C	6823.1	Standard polar	33892256
Postin,5TMS,isomer #73	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4594.5	Semi standard non polar	33892256
Postin,5TMS,isomer #73	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	4075.3	Standard non polar	33892256
Postin,5TMS,isomer #73	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	6936.1	Standard polar	33892256
Postin,5TMS,isomer #74	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4576.1	Semi standard non polar	33892256
Postin,5TMS,isomer #74	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4051.7	Standard non polar	33892256
Postin,5TMS,isomer #74	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	6905.9	Standard polar	33892256
Postin,5TMS,isomer #75	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4636.7	Semi standard non polar	33892256
Postin,5TMS,isomer #75	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4042.2	Standard non polar	33892256
Postin,5TMS,isomer #75	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	6899.1	Standard polar	33892256
Postin,5TMS,isomer #76	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4670.2	Semi standard non polar	33892256
Postin,5TMS,isomer #76	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4252.4	Standard non polar	33892256
Postin,5TMS,isomer #76	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6915.8	Standard polar	33892256
Postin,5TMS,isomer #77	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4635.2	Semi standard non polar	33892256
Postin,5TMS,isomer #77	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4229.5	Standard non polar	33892256
Postin,5TMS,isomer #77	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6886.4	Standard polar	33892256
Postin,5TMS,isomer #78	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4704.0	Semi standard non polar	33892256
Postin,5TMS,isomer #78	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4237.6	Standard non polar	33892256
Postin,5TMS,isomer #78	C[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6879.8	Standard polar	33892256
Postin,5TMS,isomer #79	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4596.2	Semi standard non polar	33892256
Postin,5TMS,isomer #79	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4157.0	Standard non polar	33892256
Postin,5TMS,isomer #79	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6870.8	Standard polar	33892256
Postin,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4469.5	Semi standard non polar	33892256
Postin,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4136.2	Standard non polar	33892256
Postin,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6787.2	Standard polar	33892256
Postin,5TMS,isomer #80	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4660.0	Semi standard non polar	33892256
Postin,5TMS,isomer #80	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4162.2	Standard non polar	33892256
Postin,5TMS,isomer #80	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	6870.6	Standard polar	33892256
Postin,5TMS,isomer #81	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4673.4	Semi standard non polar	33892256
Postin,5TMS,isomer #81	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4149.3	Standard non polar	33892256
Postin,5TMS,isomer #81	C[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6831.5	Standard polar	33892256
Postin,5TMS,isomer #82	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4441.0	Semi standard non polar	33892256
Postin,5TMS,isomer #82	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4160.9	Standard non polar	33892256
Postin,5TMS,isomer #82	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6742.6	Standard polar	33892256
Postin,5TMS,isomer #83	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4382.6	Semi standard non polar	33892256
Postin,5TMS,isomer #83	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3985.9	Standard non polar	33892256
Postin,5TMS,isomer #83	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6771.5	Standard polar	33892256
Postin,5TMS,isomer #84	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4448.9	Semi standard non polar	33892256
Postin,5TMS,isomer #84	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4210.3	Standard non polar	33892256
Postin,5TMS,isomer #84	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6667.4	Standard polar	33892256
Postin,5TMS,isomer #85	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4473.2	Semi standard non polar	33892256
Postin,5TMS,isomer #85	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4065.5	Standard non polar	33892256
Postin,5TMS,isomer #85	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	6694.7	Standard polar	33892256
Postin,5TMS,isomer #86	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4449.9	Semi standard non polar	33892256
Postin,5TMS,isomer #86	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3997.6	Standard non polar	33892256
Postin,5TMS,isomer #86	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6653.6	Standard polar	33892256
Postin,5TMS,isomer #87	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4492.5	Semi standard non polar	33892256
Postin,5TMS,isomer #87	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	4290.6	Standard non polar	33892256
Postin,5TMS,isomer #87	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C	6709.2	Standard polar	33892256
Postin,5TMS,isomer #88	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4506.9	Semi standard non polar	33892256
Postin,5TMS,isomer #88	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4148.8	Standard non polar	33892256
Postin,5TMS,isomer #88	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	6701.0	Standard polar	33892256
Postin,5TMS,isomer #89	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4469.1	Semi standard non polar	33892256
Postin,5TMS,isomer #89	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3965.2	Standard non polar	33892256
Postin,5TMS,isomer #89	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	6727.7	Standard polar	33892256
Postin,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4405.7	Semi standard non polar	33892256
Postin,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3971.0	Standard non polar	33892256
Postin,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	6826.8	Standard polar	33892256
Postin,5TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4465.3	Semi standard non polar	33892256
Postin,5TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4062.9	Standard non polar	33892256
Postin,5TMS,isomer #90	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6624.5	Standard polar	33892256
Postin,5TMS,isomer #91	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4526.0	Semi standard non polar	33892256
Postin,5TMS,isomer #91	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	4208.6	Standard non polar	33892256
Postin,5TMS,isomer #91	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C	6628.2	Standard polar	33892256
Postin,5TMS,isomer #92	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4509.6	Semi standard non polar	33892256
Postin,5TMS,isomer #92	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4162.6	Standard non polar	33892256
Postin,5TMS,isomer #92	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6739.4	Standard polar	33892256
Postin,5TMS,isomer #93	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4454.4	Semi standard non polar	33892256
Postin,5TMS,isomer #93	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3976.9	Standard non polar	33892256
Postin,5TMS,isomer #93	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6767.2	Standard polar	33892256
Postin,5TMS,isomer #94	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4514.3	Semi standard non polar	33892256
Postin,5TMS,isomer #94	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4214.4	Standard non polar	33892256
Postin,5TMS,isomer #94	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6667.5	Standard polar	33892256
Postin,5TMS,isomer #95	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4514.2	Semi standard non polar	33892256
Postin,5TMS,isomer #95	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3972.9	Standard non polar	33892256
Postin,5TMS,isomer #95	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6645.9	Standard polar	33892256
Postin,5TMS,isomer #96	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4562.7	Semi standard non polar	33892256
Postin,5TMS,isomer #96	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4296.6	Standard non polar	33892256
Postin,5TMS,isomer #96	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	6702.7	Standard polar	33892256
Postin,5TMS,isomer #97	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4517.3	Semi standard non polar	33892256
Postin,5TMS,isomer #97	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4030.7	Standard non polar	33892256
Postin,5TMS,isomer #97	C[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6620.5	Standard polar	33892256
Postin,5TMS,isomer #98	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4469.6	Semi standard non polar	33892256
Postin,5TMS,isomer #98	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	4022.5	Standard non polar	33892256
Postin,5TMS,isomer #98	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C)[Si](C)(C)C	6684.0	Standard polar	33892256
Postin,5TMS,isomer #99	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4513.8	Semi standard non polar	33892256
Postin,5TMS,isomer #99	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4306.9	Standard non polar	33892256
Postin,5TMS,isomer #99	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6737.8	Standard polar	33892256
Postin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4761.1	Semi standard non polar	33892256
Postin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4914.4	Semi standard non polar	33892256
Postin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4924.0	Semi standard non polar	33892256
Postin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4719.1	Semi standard non polar	33892256
Postin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4752.3	Semi standard non polar	33892256
Postin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	4720.0	Semi standard non polar	33892256
Postin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	4830.6	Semi standard non polar	33892256
Postin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4753.0	Semi standard non polar	33892256
Postin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	5080.2	Semi standard non polar	33892256
Postin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	4371.5	Standard non polar	33892256
Postin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	7982.5	Standard polar	33892256
Postin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4990.1	Semi standard non polar	33892256
Postin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4371.0	Standard non polar	33892256
Postin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	8053.5	Standard polar	33892256
Postin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	5055.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4403.1	Standard non polar	33892256
Postin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	8094.0	Standard polar	33892256
Postin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4982.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4373.2	Standard non polar	33892256
Postin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8067.0	Standard polar	33892256
Postin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5118.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	4483.1	Standard non polar	33892256
Postin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	8009.4	Standard polar	33892256
Postin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	5014.1	Semi standard non polar	33892256
Postin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4436.9	Standard non polar	33892256
Postin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	7992.5	Standard polar	33892256
Postin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	5085.0	Semi standard non polar	33892256
Postin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4515.3	Standard non polar	33892256
Postin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	7877.7	Standard polar	33892256
Postin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	5030.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	4362.3	Standard non polar	33892256
Postin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	7824.4	Standard polar	33892256
Postin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	5086.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4489.4	Standard non polar	33892256
Postin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	7909.3	Standard polar	33892256
Postin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5027.8	Semi standard non polar	33892256
Postin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4381.5	Standard non polar	33892256
Postin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7888.0	Standard polar	33892256
Postin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	5021.0	Semi standard non polar	33892256
Postin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	4382.3	Standard non polar	33892256
Postin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	7871.5	Standard polar	33892256
Postin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5041.4	Semi standard non polar	33892256
Postin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	4370.5	Standard non polar	33892256
Postin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	8151.1	Standard polar	33892256
Postin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	5058.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	4414.4	Standard non polar	33892256
Postin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	7916.4	Standard polar	33892256
Postin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4856.1	Semi standard non polar	33892256
Postin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4281.1	Standard non polar	33892256
Postin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8224.9	Standard polar	33892256
Postin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4804.9	Semi standard non polar	33892256
Postin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4233.3	Standard non polar	33892256
Postin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8191.1	Standard polar	33892256
Postin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4913.0	Semi standard non polar	33892256
Postin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4344.9	Standard non polar	33892256
Postin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	8159.6	Standard polar	33892256
Postin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	4845.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	4304.8	Standard non polar	33892256
Postin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	8136.3	Standard polar	33892256
Postin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4859.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4276.0	Standard non polar	33892256
Postin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8233.1	Standard polar	33892256
Postin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4959.2	Semi standard non polar	33892256
Postin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4373.0	Standard non polar	33892256
Postin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	8209.3	Standard polar	33892256
Postin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	4878.4	Semi standard non polar	33892256
Postin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	4314.7	Standard non polar	33892256
Postin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	8183.9	Standard polar	33892256
Postin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N	4947.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N	4349.0	Standard non polar	33892256
Postin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N	8162.3	Standard polar	33892256
Postin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4848.6	Semi standard non polar	33892256
Postin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4305.7	Standard non polar	33892256
Postin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	8139.4	Standard polar	33892256
Postin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4966.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4331.2	Standard non polar	33892256
Postin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	8231.9	Standard polar	33892256
Postin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4958.7	Semi standard non polar	33892256
Postin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4357.2	Standard non polar	33892256
Postin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	8173.7	Standard polar	33892256
Postin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	4879.6	Semi standard non polar	33892256
Postin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	4286.2	Standard non polar	33892256
Postin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	8206.7	Standard polar	33892256
Postin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4869.6	Semi standard non polar	33892256
Postin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4242.7	Standard non polar	33892256
Postin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	8273.6	Standard polar	33892256
Postin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4866.1	Semi standard non polar	33892256
Postin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4234.0	Standard non polar	33892256
Postin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	8247.9	Standard polar	33892256
Postin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	4914.8	Semi standard non polar	33892256
Postin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	4255.2	Standard non polar	33892256
Postin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	8303.5	Standard polar	33892256
Postin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	5226.3	Semi standard non polar	33892256
Postin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	4503.7	Standard non polar	33892256
Postin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	7876.1	Standard polar	33892256
Postin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	5187.5	Semi standard non polar	33892256
Postin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4458.9	Standard non polar	33892256
Postin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8237.6	Standard polar	33892256
Postin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5356.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4554.4	Standard non polar	33892256
Postin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7294.3	Standard polar	33892256
Postin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5202.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	4448.4	Standard non polar	33892256
Postin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	7646.4	Standard polar	33892256
Postin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5117.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4442.8	Standard non polar	33892256
Postin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7627.0	Standard polar	33892256
Postin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5240.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4533.1	Standard non polar	33892256
Postin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7583.5	Standard polar	33892256
Postin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	5117.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	4478.1	Standard non polar	33892256
Postin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	7617.4	Standard polar	33892256
Postin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5059.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4360.4	Standard non polar	33892256
Postin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7857.7	Standard polar	33892256
Postin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5062.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4431.8	Standard non polar	33892256
Postin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7823.5	Standard polar	33892256
Postin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5036.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4419.0	Standard non polar	33892256
Postin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7799.0	Standard polar	33892256
Postin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	5106.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	4415.9	Standard non polar	33892256
Postin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C	7856.1	Standard polar	33892256
Postin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4950.5	Semi standard non polar	33892256
Postin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4373.4	Standard non polar	33892256
Postin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7838.4	Standard polar	33892256
Postin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4941.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4357.9	Standard non polar	33892256
Postin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7815.0	Standard polar	33892256
Postin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	5205.4	Semi standard non polar	33892256
Postin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4570.9	Standard non polar	33892256
Postin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	7393.3	Standard polar	33892256
Postin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5004.4	Semi standard non polar	33892256
Postin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4348.6	Standard non polar	33892256
Postin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7870.2	Standard polar	33892256
Postin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4941.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4327.3	Standard non polar	33892256
Postin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7824.9	Standard polar	33892256
Postin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5009.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4345.7	Standard non polar	33892256
Postin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7872.8	Standard polar	33892256
Postin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5001.5	Semi standard non polar	33892256
Postin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4337.3	Standard non polar	33892256
Postin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7843.6	Standard polar	33892256
Postin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	5465.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4653.1	Standard non polar	33892256
Postin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	7344.0	Standard polar	33892256
Postin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5274.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4561.0	Standard non polar	33892256
Postin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7175.3	Standard polar	33892256
Postin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	5344.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	4588.8	Standard non polar	33892256
Postin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	7230.2	Standard polar	33892256
Postin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5271.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4562.6	Standard non polar	33892256
Postin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7207.0	Standard polar	33892256
Postin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5357.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4666.2	Standard non polar	33892256
Postin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7219.7	Standard polar	33892256
Postin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	5286.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	4514.2	Standard non polar	33892256
Postin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	7171.1	Standard polar	33892256
Postin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5148.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4358.5	Standard non polar	33892256
Postin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	7374.8	Standard polar	33892256
Postin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5340.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4709.4	Standard non polar	33892256
Postin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7164.7	Standard polar	33892256
Postin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	5227.5	Semi standard non polar	33892256
Postin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4525.8	Standard non polar	33892256
Postin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	7637.7	Standard polar	33892256
Postin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	5294.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	4553.9	Standard non polar	33892256
Postin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	7684.9	Standard polar	33892256
Postin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	5233.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	4530.9	Standard non polar	33892256
Postin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N)C(=O)O	7654.7	Standard polar	33892256
Postin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	5369.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	4636.8	Standard non polar	33892256
Postin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N	7627.1	Standard polar	33892256
Postin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	5269.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	4580.5	Standard non polar	33892256
Postin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O	7660.2	Standard polar	33892256
Postin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5031.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4430.7	Standard non polar	33892256
Postin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7528.7	Standard polar	33892256
Postin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5167.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4545.0	Standard non polar	33892256
Postin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7499.7	Standard polar	33892256
Postin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	5072.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	4482.5	Standard non polar	33892256
Postin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O	7536.4	Standard polar	33892256
Postin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5109.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4462.9	Standard non polar	33892256
Postin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7553.2	Standard polar	33892256
Postin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5219.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4532.9	Standard non polar	33892256
Postin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7430.8	Standard polar	33892256
Postin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	5109.5	Semi standard non polar	33892256
Postin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4463.2	Standard non polar	33892256
Postin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	7572.9	Standard polar	33892256
Postin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5232.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	4562.0	Standard non polar	33892256
Postin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	7546.0	Standard polar	33892256
Postin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	5138.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	4499.4	Standard non polar	33892256
Postin,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	7581.2	Standard polar	33892256
Postin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5175.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4551.7	Standard non polar	33892256
Postin,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7516.3	Standard polar	33892256
Postin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5070.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4488.1	Standard non polar	33892256
Postin,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7552.9	Standard polar	33892256
Postin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	5209.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4519.1	Standard non polar	33892256
Postin,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	7569.2	Standard polar	33892256
Postin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5162.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4494.4	Standard non polar	33892256
Postin,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7244.5	Standard polar	33892256
Postin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5239.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4714.0	Standard non polar	33892256
Postin,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7362.1	Standard polar	33892256
Postin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5157.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4587.2	Standard non polar	33892256
Postin,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7323.2	Standard polar	33892256
Postin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5149.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4586.9	Standard non polar	33892256
Postin,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7305.5	Standard polar	33892256
Postin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5172.4	Semi standard non polar	33892256
Postin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4454.9	Standard non polar	33892256
Postin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7434.2	Standard polar	33892256
Postin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5194.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4599.4	Standard non polar	33892256
Postin,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7353.5	Standard polar	33892256
Postin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	5160.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	4416.0	Standard non polar	33892256
Postin,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	7263.2	Standard polar	33892256
Postin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5106.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4377.9	Standard non polar	33892256
Postin,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	7307.8	Standard polar	33892256
Postin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	5102.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	4376.0	Standard non polar	33892256
Postin,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	7290.5	Standard polar	33892256
Postin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	5147.6	Semi standard non polar	33892256
Postin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	4365.4	Standard non polar	33892256
Postin,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	7337.6	Standard polar	33892256
Postin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5171.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4552.5	Standard non polar	33892256
Postin,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7363.0	Standard polar	33892256
Postin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5149.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4547.7	Standard non polar	33892256
Postin,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7345.8	Standard polar	33892256
Postin,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5203.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4557.6	Standard non polar	33892256
Postin,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7393.9	Standard polar	33892256
Postin,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5082.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4444.5	Standard non polar	33892256
Postin,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7336.2	Standard polar	33892256
Postin,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5138.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4467.9	Standard non polar	33892256
Postin,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7380.5	Standard polar	33892256
Postin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5159.0	Semi standard non polar	33892256
Postin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4444.2	Standard non polar	33892256
Postin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7392.1	Standard polar	33892256
Postin,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5134.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4467.9	Standard non polar	33892256
Postin,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7360.5	Standard polar	33892256
Postin,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4952.9	Semi standard non polar	33892256
Postin,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4345.0	Standard non polar	33892256
Postin,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7781.9	Standard polar	33892256
Postin,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	5032.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4441.4	Standard non polar	33892256
Postin,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	7779.6	Standard polar	33892256
Postin,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4947.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4377.2	Standard non polar	33892256
Postin,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7798.3	Standard polar	33892256
Postin,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4984.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4428.0	Standard non polar	33892256
Postin,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	7743.2	Standard polar	33892256
Postin,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4893.3	Semi standard non polar	33892256
Postin,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4367.2	Standard non polar	33892256
Postin,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7762.8	Standard polar	33892256
Postin,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5023.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4387.6	Standard non polar	33892256
Postin,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7794.3	Standard polar	33892256
Postin,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	5057.5	Semi standard non polar	33892256
Postin,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4448.1	Standard non polar	33892256
Postin,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	7787.6	Standard polar	33892256
Postin,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4956.7	Semi standard non polar	33892256
Postin,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4373.2	Standard non polar	33892256
Postin,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7805.3	Standard polar	33892256
Postin,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5081.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4370.5	Standard non polar	33892256
Postin,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7840.3	Standard polar	33892256
Postin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5211.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4447.7	Standard non polar	33892256
Postin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7452.5	Standard polar	33892256
Postin,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5041.1	Semi standard non polar	33892256
Postin,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4396.5	Standard non polar	33892256
Postin,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7796.1	Standard polar	33892256
Postin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	5282.8	Semi standard non polar	33892256
Postin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	4518.9	Standard non polar	33892256
Postin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1	7732.4	Standard polar	33892256
Postin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	5113.2	Semi standard non polar	33892256
Postin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	4434.4	Standard non polar	33892256
Postin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[Si](C)(C)C(C)(C)C	7588.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Postin GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-7911400000-2506de19ce43d82ec8d4	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Postin GC-MS (1 TMS) - 70eV, Positive	splash10-00xr-9500110000-9b066c6220e780f7b186	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Postin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 10V, Positive-QTOF	splash10-0002-2312900000-69b9f7c1624119cbf0aa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 20V, Positive-QTOF	splash10-00di-9621100000-613e0c06a18b0d8c392b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 40V, Positive-QTOF	splash10-00di-9200000000-aef8430fb4424816a236	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 10V, Negative-QTOF	splash10-0k92-1000900000-c8748637f7caba999c5a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 20V, Negative-QTOF	splash10-0a4i-6434900000-4a93c3e5894c61cdf5f4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 40V, Negative-QTOF	splash10-052f-9400100000-49fb0a68fbc838229714	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 10V, Negative-QTOF	splash10-0002-0000900000-fa197d089724bba58510	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 20V, Negative-QTOF	splash10-000w-7306900000-8c25265d8d217bf0f07b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 40V, Negative-QTOF	splash10-0006-9200000000-c6e8621cb1fa723012e7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 10V, Positive-QTOF	splash10-0002-0010900000-cdbe781c1560b0d58698	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 20V, Positive-QTOF	splash10-0002-4981800000-5f1b2b4f0159e847acf0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Postin 40V, Positive-QTOF	splash10-00dj-9820000000-5307037e0dc878442fab	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023762

KNApSAcK ID

C00015029

Chemspider ID

113851

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

128439

PDB ID

Not Available

ChEBI ID

176180

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Postin (HMDB0005772)

MOL for HMDB0005772 (Postin)

3D MOL for HMDB0005772 (Postin)

3D SDF for HMDB0005772 (Postin)

3D-SDF for HMDB0005772 (Postin)

PDB for HMDB0005772 (Postin)

3D PDB for HMDB0005772 (Postin)

SMILES for HMDB0005772 (Postin)

INCHI for HMDB0005772 (Postin)

Structure for HMDB0005772 (Postin)

3D Structure for HMDB0005772 (Postin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra