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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 01:38:59 UTC

Update Date

2021-09-26 22:58:35 UTC

HMDB ID

HMDB0248351

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Amoxicilloyl

Description

Amoxicilloyl belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review a significant number of articles have been published on Amoxicilloyl. This compound has been identified in human blood as reported by (PMID: 31557052 ). Amoxicilloyl is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Amoxicilloyl is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112103392D          

 26 27  0  0  0  0            999 V2000
    3.2704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -0.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803    0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934   -0.2924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260    1.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -5.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

HMDB0248351
     RDKit          3D
Amoxicilloyl
 49 50  0  0  0  0  0  0  0  0999 V2000
   -1.5913   -1.4695   -2.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -1.4269   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -2.1346   -1.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685   -0.5732   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -0.7650    0.2368 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.3395    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    1.4799   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    0.1494    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468   -1.2177    1.5887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.6117    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662    1.8420    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486    2.2718   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    1.4846   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3710    1.9674   -1.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091    0.2553   -1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266   -0.1703   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108   -0.9006    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -0.7281   -0.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -0.7680    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2493   -0.8302    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5936   -0.8489   -0.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2708   -0.8722    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081    0.4561    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    1.7138    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0513    0.1889    3.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671    0.3985    1.7415 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -1.9747   -3.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765   -0.4326   -2.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321   -2.0342   -2.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    0.4821   -0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -1.7087    0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.7719    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -1.8872    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -1.3160    2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415    2.4690    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    3.2462    0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7803    1.4179   -2.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370   -0.3770   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -1.1530   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -1.8862    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9068    0.2375   -0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6258   -1.6479    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1931   -1.2718    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4937    2.3740    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967    1.5896    0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2731    2.2715    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    0.7971    3.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789    0.4582    3.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269   -0.8793    3.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 16 10  1  0
 26 17  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 22 43  1  0
 24 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 25 49  1  0
M  END

  Mrv1652309112103392D          

 26 27  0  0  0  0            999 V2000
    3.2704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -0.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803    0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934   -0.2924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    0.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260    1.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -5.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248351

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1NC(C(O)=O)C(C)(C)S1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23N3O5S/c1-8(21)12(15-20-13(16(24)25)17(2,3)26-15)19-14(23)11(18)9-4-6-10(22)7-5-9/h4-7,11-13,15,20,22H,18H2,1-3H3,(H,19,23)(H,24,25)

> <INCHI_KEY>
BNIOMQSGDOYXMY-UHFFFAOYSA-N

> <FORMULA>
C17H23N3O5S

> <MOLECULAR_WEIGHT>
381.45

> <EXACT_MASS>
381.135842027

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
38.35614909028088

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{1-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxopropyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

> <ALOGPS_LOGP>
0.10

> <JCHEM_LOGP>
-2.008167168644379

> <ALOGPS_LOGS>
-2.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.48030461271576

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.938497519694296

> <JCHEM_PKA_STRONGEST_BASIC>
7.368149753877107

> <JCHEM_POLAR_SURFACE_AREA>
141.75

> <JCHEM_REFRACTIVITY>
96.1333

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{1-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxopropyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248351
     RDKit          3D
Amoxicilloyl
 49 50  0  0  0  0  0  0  0  0999 V2000
   -1.5913   -1.4695   -2.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -1.4269   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -2.1346   -1.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685   -0.5732   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -0.7650    0.2368 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.3395    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    1.4799   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    0.1494    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468   -1.2177    1.5887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.6117    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662    1.8420    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486    2.2718   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    1.4846   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3710    1.9674   -1.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091    0.2553   -1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266   -0.1703   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108   -0.9006    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -0.7281   -0.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -0.7680    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2493   -0.8302    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5936   -0.8489   -0.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2708   -0.8722    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081    0.4561    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    1.7138    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0513    0.1889    3.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671    0.3985    1.7415 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -1.9747   -3.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765   -0.4326   -2.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321   -2.0342   -2.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    0.4821   -0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -1.7087    0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.7719    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -1.8872    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -1.3160    2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415    2.4690    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    3.2462    0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7803    1.4179   -2.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370   -0.3770   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -1.1530   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -1.8862    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9068    0.2375   -0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6258   -1.6479    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1931   -1.2718    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4937    2.3740    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967    1.5896    0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2731    2.2715    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    0.7971    3.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789    0.4582    3.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269   -0.8793    3.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 16 10  1  0
 26 17  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 22 43  1  0
 24 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 25 49  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       6.105  -5.954   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.795  -4.620   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.105  -3.286   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -1.953   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       3.803  -1.792   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       3.483  -0.285   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.817   0.485   0.000  0.00  0.00           C+0
HETATM    9  S   UNK     0       5.961  -0.546   0.000  0.00  0.00           S+0
HETATM   10  C   UNK     0       4.205   1.898   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.709   1.740   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.076   0.341   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.915   1.873   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.830  -0.564   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       7.645  -3.286   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       8.415  -4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.645  -5.954   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.955  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.725  -5.954   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.265  -5.954   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.035  -7.287   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.265  -8.621   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.725  -8.621   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.955  -7.287   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      13.035  -9.955   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0      10.725  -3.286   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   15                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9   10   11                                             
CONECT    9    8    5                                                       
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12    7   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    4   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   26                                                  
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25   22                                                            
CONECT   26   18                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0248351
HETATM    1  C1  UNL     1      -1.591  -1.470  -2.655  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.457  -1.427  -1.683  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.524  -2.135  -1.894  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.468  -0.573  -0.485  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.771  -0.765   0.237  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.646   0.340   0.431  1.00  0.00           C  
HETATM    7  O2  UNL     1       1.378   1.480  -0.005  1.00  0.00           O  
HETATM    8  C5  UNL     1       2.905   0.149   1.162  1.00  0.00           C  
HETATM    9  N2  UNL     1       3.047  -1.218   1.589  1.00  0.00           N  
HETATM   10  C6  UNL     1       4.079   0.612   0.357  1.00  0.00           C  
HETATM   11  C7  UNL     1       4.666   1.842   0.580  1.00  0.00           C  
HETATM   12  C8  UNL     1       5.749   2.272  -0.159  1.00  0.00           C  
HETATM   13  C9  UNL     1       6.290   1.485  -1.155  1.00  0.00           C  
HETATM   14  O3  UNL     1       7.371   1.967  -1.859  1.00  0.00           O  
HETATM   15  C10 UNL     1       5.709   0.255  -1.383  1.00  0.00           C  
HETATM   16  C11 UNL     1       4.627  -0.170  -0.642  1.00  0.00           C  
HETATM   17  C12 UNL     1      -1.611  -0.901   0.449  1.00  0.00           C  
HETATM   18  N3  UNL     1      -2.899  -0.728  -0.202  1.00  0.00           N  
HETATM   19  C13 UNL     1      -3.868  -0.768   0.861  1.00  0.00           C  
HETATM   20  C14 UNL     1      -5.249  -0.830   0.388  1.00  0.00           C  
HETATM   21  O4  UNL     1      -5.594  -0.849  -0.820  1.00  0.00           O  
HETATM   22  O5  UNL     1      -6.271  -0.872   1.327  1.00  0.00           O  
HETATM   23  C15 UNL     1      -3.608   0.456   1.749  1.00  0.00           C  
HETATM   24  C16 UNL     1      -4.128   1.714   1.150  1.00  0.00           C  
HETATM   25  C17 UNL     1      -4.051   0.189   3.148  1.00  0.00           C  
HETATM   26  S1  UNL     1      -1.767   0.399   1.742  1.00  0.00           S  
HETATM   27  H1  UNL     1      -1.226  -1.975  -3.566  1.00  0.00           H  
HETATM   28  H2  UNL     1      -1.876  -0.433  -2.983  1.00  0.00           H  
HETATM   29  H3  UNL     1      -2.432  -2.034  -2.253  1.00  0.00           H  
HETATM   30  H4  UNL     1      -0.564   0.482  -0.804  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.016  -1.709   0.610  1.00  0.00           H  
HETATM   32  H6  UNL     1       2.871   0.772   2.089  1.00  0.00           H  
HETATM   33  H7  UNL     1       3.096  -1.887   0.805  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.874  -1.316   2.192  1.00  0.00           H  
HETATM   35  H9  UNL     1       4.242   2.469   1.368  1.00  0.00           H  
HETATM   36  H10 UNL     1       6.154   3.246   0.073  1.00  0.00           H  
HETATM   37  H11 UNL     1       7.780   1.418  -2.583  1.00  0.00           H  
HETATM   38  H12 UNL     1       6.137  -0.377  -2.177  1.00  0.00           H  
HETATM   39  H13 UNL     1       4.179  -1.153  -0.840  1.00  0.00           H  
HETATM   40  H14 UNL     1      -1.504  -1.886   0.919  1.00  0.00           H  
HETATM   41  H15 UNL     1      -2.907   0.237  -0.600  1.00  0.00           H  
HETATM   42  H16 UNL     1      -3.626  -1.648   1.501  1.00  0.00           H  
HETATM   43  H17 UNL     1      -7.193  -1.272   1.105  1.00  0.00           H  
HETATM   44  H18 UNL     1      -4.494   2.374   1.989  1.00  0.00           H  
HETATM   45  H19 UNL     1      -4.897   1.590   0.379  1.00  0.00           H  
HETATM   46  H20 UNL     1      -3.273   2.271   0.709  1.00  0.00           H  
HETATM   47  H21 UNL     1      -4.951   0.797   3.365  1.00  0.00           H  
HETATM   48  H22 UNL     1      -3.279   0.458   3.910  1.00  0.00           H  
HETATM   49  H23 UNL     1      -4.327  -0.879   3.324  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    3    4
CONECT    4    5   17   30
CONECT    5    6   31
CONECT    6    7    7    8
CONECT    8    9   10   32
CONECT    9   33   34
CONECT   10   11   11   16
CONECT   11   12   35
CONECT   12   13   13   36
CONECT   13   14   15
CONECT   14   37
CONECT   15   16   16   38
CONECT   16   39
CONECT   17   18   26   40
CONECT   18   19   41
CONECT   19   20   23   42
CONECT   20   21   21   22
CONECT   22   43
CONECT   23   24   25   26
CONECT   24   44   45   46
CONECT   25   47   48   49
END

HMDB0248351
     RDKit          3D
Amoxicilloyl
 49 50  0  0  0  0  0  0  0  0999 V2000
   -1.5913   -1.4695   -2.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -1.4269   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5240   -2.1346   -1.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4685   -0.5732   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -0.7650    0.2368 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.3395    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    1.4799   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050    0.1494    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468   -1.2177    1.5887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.6117    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662    1.8420    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486    2.2718   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2897    1.4846   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3710    1.9674   -1.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7091    0.2553   -1.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266   -0.1703   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6108   -0.9006    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -0.7281   -0.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -0.7680    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2493   -0.8302    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5936   -0.8489   -0.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2708   -0.8722    1.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081    0.4561    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    1.7138    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0513    0.1889    3.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671    0.3985    1.7415 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -1.9747   -3.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765   -0.4326   -2.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321   -2.0342   -2.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    0.4821   -0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -1.7087    0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711    0.7719    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -1.8872    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -1.3160    2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415    2.4690    1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    3.2462    0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7803    1.4179   -2.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370   -0.3770   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -1.1530   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -1.8862    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9068    0.2375   -0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6258   -1.6479    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1931   -1.2718    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4937    2.3740    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967    1.5896    0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2731    2.2715    0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    0.7971    3.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789    0.4582    3.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269   -0.8793    3.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 16 10  1  0
 26 17  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  8 32  1  0
  9 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 22 43  1  0
 24 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 25 49  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₇H₂₃N₃O₅S

Average Molecular Weight

381.45

Monoisotopic Molecular Weight

381.135842027

IUPAC Name

2-{1-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxopropyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Traditional Name

2-{1-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxopropyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1NC(C(O)=O)C(C)(C)S1

InChI Identifier

InChI=1S/C17H23N3O5S/c1-8(21)12(15-20-13(16(24)25)17(2,3)26-15)19-14(23)11(18)9-4-6-10(22)7-5-9/h4-7,11-13,15,20,22H,18H2,1-3H3,(H,19,23)(H,24,25)

InChI Key

BNIOMQSGDOYXMY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Thiazolidine
Ketone
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Azacycle
Thioether
Hemithioaminal
Organoheterocyclic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Dialkylthioether
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Primary amine
Carbonyl group
Organic nitrogen compound
Amine
Organic oxide
Primary aliphatic amine
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	0.1	ALOGPS
logP	-2	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	2.94	ChemAxon
pKa (Strongest Basic)	7.37	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.75 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	96.13 m³·mol⁻¹	ChemAxon
Polarizability	38.36 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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
DeepCCS	[M+H]+	182.728	30932474
DeepCCS	[M-H]-	180.37	30932474
DeepCCS	[M-2H]-	214.816	30932474
DeepCCS	[M+Na]+	189.853	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Amoxicilloyl	CC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1NC(C(O)=O)C(C)(C)S1	4288.0	Standard polar	33892256
Amoxicilloyl	CC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1NC(C(O)=O)C(C)(C)S1	2709.7	Standard non polar	33892256
Amoxicilloyl	CC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1NC(C(O)=O)C(C)(C)S1	3305.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Amoxicilloyl,2TMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3292.5	Semi standard non polar	33892256
Amoxicilloyl,2TMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	2989.5	Standard non polar	33892256
Amoxicilloyl,2TMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4506.5	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3340.2	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	2944.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4557.0	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #10	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3281.9	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #10	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3003.5	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #10	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4551.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #11	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3281.8	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #11	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2899.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #11	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4375.7	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3287.0	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3017.7	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4189.6	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3368.0	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3074.4	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4237.6	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3289.5	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2957.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3953.4	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3219.2	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2944.3	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4178.9	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #16	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3299.1	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #16	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3016.3	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #16	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4421.7	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #17	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3190.3	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #17	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3011.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #17	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4486.0	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #18	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3222.1	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #18	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2905.6	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #18	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4416.6	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3211.5	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	2981.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #19	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4284.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #2	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3228.4	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #2	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	2919.5	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #2	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4466.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3106.7	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2980.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #20	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4461.3	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3145.1	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2871.7	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #21	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4362.3	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3141.8	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3029.3	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4114.0	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3246.2	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3104.6	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4199.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3169.7	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2965.9	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3895.0	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3095.3	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2938.9	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4136.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3376.1	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3084.7	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4440.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #27	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3471.7	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #27	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3155.5	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #27	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4595.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #28	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3328.2	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #28	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2981.1	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #28	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4262.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #29	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3241.0	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #29	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2950.5	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #29	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4356.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3228.6	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	2986.0	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4095.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #30	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3296.3	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #30	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3050.1	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #30	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4436.5	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #31	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3375.6	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #31	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3104.0	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #31	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4495.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #32	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3270.0	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #32	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2950.4	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #32	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4171.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #33	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3198.7	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #33	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2953.2	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #33	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4378.8	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3209.8	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	2991.9	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3968.7	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3336.4	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3125.8	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4321.2	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3337.8	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3065.0	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4076.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3177.1	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2976.7	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4277.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3213.5	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2907.0	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4175.3	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #6	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3426.4	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #6	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3032.4	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #6	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	4429.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #7	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3388.0	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #7	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3035.5	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #7	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4551.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #8	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3346.8	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #8	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2923.6	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #8	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4422.1	Standard polar	33892256
Amoxicilloyl,3TMS,isomer #9	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3338.7	Semi standard non polar	33892256
Amoxicilloyl,3TMS,isomer #9	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3002.6	Standard non polar	33892256
Amoxicilloyl,3TMS,isomer #9	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	4340.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3336.6	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3018.3	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #1	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4163.4	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3236.5	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2975.3	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3961.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #11	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3412.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #11	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3074.0	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #11	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4161.8	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #12	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3465.8	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #12	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3127.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #12	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4276.9	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #13	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3376.8	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #13	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2997.7	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #13	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3989.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #14	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3337.5	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #14	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2963.3	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #14	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4148.9	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3322.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3076.1	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4152.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3382.0	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3109.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #16	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4192.4	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3300.9	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	2993.7	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3921.7	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3288.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2992.2	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #18	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4161.3	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3261.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3019.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3767.5	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3318.6	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3003.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4286.4	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3348.6	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3136.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4063.3	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3361.7	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3071.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3840.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #22	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3250.0	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #22	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3064.7	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #22	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4101.7	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #23	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3332.5	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #23	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3134.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #23	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4273.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #24	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3287.5	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #24	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2984.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #24	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3935.9	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #25	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3222.0	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #25	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2932.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #25	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4092.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #26	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3181.0	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #26	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3058.9	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #26	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	4071.5	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #27	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3268.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #27	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3108.3	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #27	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4144.7	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #28	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3194.2	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #28	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2971.3	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #28	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3851.0	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #29	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	3164.8	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #29	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	2959.0	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #29	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C	4109.4	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3334.3	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2931.4	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4193.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3170.2	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3032.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3667.3	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3223.9	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3168.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3996.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3243.7	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3096.8	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3777.6	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #33	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3314.6	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #33	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3006.8	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #33	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3921.0	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #34	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3410.9	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #34	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3211.1	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #34	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4285.5	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #35	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3411.5	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #35	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3100.8	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #35	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4108.5	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #36	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3264.9	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #36	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3039.1	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #36	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3938.4	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #37	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3359.7	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #37	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3185.4	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #37	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4277.0	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #38	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3355.6	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #38	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3081.0	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #38	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	4027.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3328.1	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3128.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3863.5	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #4	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3247.0	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #4	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3012.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #4	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4047.9	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3199.4	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3005.4	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4253.9	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3238.2	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2922.4	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	4137.2	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3204.4	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3044.6	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3912.3	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3284.7	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3094.0	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3971.1	Standard polar	33892256
Amoxicilloyl,4TMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3213.4	Semi standard non polar	33892256
Amoxicilloyl,4TMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	2994.4	Standard non polar	33892256
Amoxicilloyl,4TMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3688.2	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3329.3	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3065.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3920.3	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #10	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3291.1	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #10	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3158.2	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #10	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3793.7	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #11	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3297.5	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #11	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3103.2	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #11	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3579.0	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #12	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3385.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #12	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3019.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #12	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3749.3	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #13	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3460.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #13	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3170.2	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #13	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4048.5	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #14	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3456.6	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #14	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3095.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #14	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3885.9	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3324.4	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3085.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #15	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3765.9	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3390.3	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3182.9	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #16	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4042.4	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3393.8	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3104.4	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #17	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C	3810.6	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #18	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3383.0	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #18	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3131.6	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #18	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3662.8	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #19	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3276.3	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #19	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3004.4	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #19	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3644.2	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #2	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3383.6	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #2	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3115.9	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #2	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	4051.0	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #20	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3312.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #20	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3182.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #20	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4005.9	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #21	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3339.7	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #21	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3090.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #21	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3839.1	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #22	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3213.2	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #22	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3055.9	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #22	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C	3662.1	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #23	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3267.4	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #23	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3183.5	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #23	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3977.7	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #24	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3283.3	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #24	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3088.8	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #24	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3744.8	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3288.3	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3158.7	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3572.5	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3405.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3121.3	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #26	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3842.3	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #27	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3379.1	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #27	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3160.9	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #27	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3856.7	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3340.0	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3015.4	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3746.1	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #4	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3361.4	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #4	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	2959.7	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #4	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3947.6	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3223.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3095.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3898.8	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3308.4	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3117.9	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1	3933.9	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #7	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3240.7	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #7	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3028.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #7	C=C(O[Si](C)(C)C)C(NC(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3668.3	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3276.8	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3015.0	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #8	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3964.3	Standard polar	33892256
Amoxicilloyl,5TMS,isomer #9	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3258.9	Semi standard non polar	33892256
Amoxicilloyl,5TMS,isomer #9	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3061.5	Standard non polar	33892256
Amoxicilloyl,5TMS,isomer #9	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3501.3	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3377.3	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3041.8	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3509.6	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #10	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3368.4	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #10	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3116.2	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #10	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3561.4	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #11	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3333.8	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #11	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3170.4	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #11	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3580.0	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3408.6	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3158.2	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #2	CC(O[Si](C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3812.7	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3403.2	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3113.9	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #3	CC(O[Si](C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3653.6	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #4	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3296.6	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #4	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3121.3	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #4	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3524.1	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3310.5	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3195.0	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #5	C=C(O[Si](C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3791.3	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3336.2	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3134.1	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #6	C=C(O[Si](C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C	3571.4	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #7	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3378.8	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #7	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3174.1	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #7	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3419.2	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #8	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3473.6	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #8	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3116.0	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #8	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3652.4	Standard polar	33892256
Amoxicilloyl,6TMS,isomer #9	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3430.8	Semi standard non polar	33892256
Amoxicilloyl,6TMS,isomer #9	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3188.6	Standard non polar	33892256
Amoxicilloyl,6TMS,isomer #9	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3669.0	Standard polar	33892256
Amoxicilloyl,7TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3470.3	Semi standard non polar	33892256
Amoxicilloyl,7TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3132.9	Standard non polar	33892256
Amoxicilloyl,7TMS,isomer #1	CC(O[Si](C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3450.7	Standard polar	33892256
Amoxicilloyl,7TMS,isomer #2	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3415.9	Semi standard non polar	33892256
Amoxicilloyl,7TMS,isomer #2	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3213.1	Standard non polar	33892256
Amoxicilloyl,7TMS,isomer #2	C=C(O[Si](C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N(C(=O)C(C1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3462.5	Standard polar	33892256
Amoxicilloyl,2TBDMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3716.8	Semi standard non polar	33892256
Amoxicilloyl,2TBDMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3377.3	Standard non polar	33892256
Amoxicilloyl,2TBDMS,isomer #18	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4523.6	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4027.6	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3488.1	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4653.3	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3934.2	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3530.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #10	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4621.4	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3935.2	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3448.1	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4479.4	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3903.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3567.7	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #12	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4345.3	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4053.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3603.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #13	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4369.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3915.5	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3542.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #14	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4160.2	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3907.7	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3499.0	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #15	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4338.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3955.5	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3555.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4512.4	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #17	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3822.9	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #17	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3533.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #17	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4564.9	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #18	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3910.8	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #18	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3479.5	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #18	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4488.5	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3821.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3528.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #19	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4386.4	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3890.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3463.6	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #2	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4558.2	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3753.9	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3515.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4534.1	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3785.9	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3441.3	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4429.9	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3746.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3588.5	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #22	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4253.3	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3913.2	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3632.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #23	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4307.6	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3779.0	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3571.3	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #24	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4077.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3780.6	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3518.0	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #25	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4274.7	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #26	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3930.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #26	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3610.9	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #26	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4501.2	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #27	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4124.2	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #27	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3666.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #27	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4636.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #28	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3992.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #28	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3534.5	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #28	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4372.1	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #29	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3915.0	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #29	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3509.5	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #29	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4456.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3865.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3561.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #3	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4271.8	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #30	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3873.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #30	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3585.6	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #30	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4490.1	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #31	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4022.9	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #31	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3613.0	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #31	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4536.9	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #32	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3886.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #32	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3504.5	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #32	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4291.5	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #33	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3882.8	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #33	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3497.4	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #33	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4462.9	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3868.8	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3568.6	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #34	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4149.8	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3969.7	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3648.9	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #35	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4408.4	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4002.4	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3611.9	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #36	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4213.0	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3819.2	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3522.7	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #4	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4413.8	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3829.1	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3491.6	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #5	CC(=O)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4314.1	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	4107.3	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3562.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	4556.2	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4016.4	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3544.2	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4630.2	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4050.4	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3472.8	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4530.7	Standard polar	33892256
Amoxicilloyl,3TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3962.0	Semi standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	3541.9	Standard non polar	33892256
Amoxicilloyl,3TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O)C(C)(C)S1	4465.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4171.5	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3692.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4390.3	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4029.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3685.2	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #10	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4197.4	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4146.8	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3735.4	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4373.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4323.6	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3767.8	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4452.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4171.3	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3686.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4246.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4176.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3651.8	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4386.4	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4071.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3751.8	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4366.9	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4199.9	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	3762.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #16	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)C(C)(C)S1	4368.3	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4064.5	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3691.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #17	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4169.2	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4120.0	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3673.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4395.7	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4065.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3736.1	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #19	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4036.9	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4112.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3662.1	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4478.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4171.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3802.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #20	CC(=O)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4254.8	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4194.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3757.2	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #21	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4055.3	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #22	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3989.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #22	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3744.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #22	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4304.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #23	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4199.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #23	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3787.5	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #23	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4420.3	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #24	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4043.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #24	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3698.1	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #24	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4175.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #25	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4014.8	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #25	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3662.1	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #25	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4313.8	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #26	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3922.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #26	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3746.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #26	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4282.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #27	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4077.2	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #27	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3770.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #27	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4315.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #28	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3937.8	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #28	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3685.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #28	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4087.1	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #29	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3966.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #29	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3664.4	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #29	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4327.1	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4132.3	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3629.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4390.3	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3941.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3772.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #30	CC(=O)C(C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3942.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4055.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.1	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #31	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4189.9	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4069.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3811.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #32	CC(=O)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3990.1	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #33	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4082.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #33	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3729.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #33	CC(O[Si](C)(C)C(C)(C)C)=C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4177.1	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #34	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4192.5	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #34	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3868.4	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #34	CC(O[Si](C)(C)C(C)(C)C)=C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4419.6	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #35	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4259.1	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #35	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3766.8	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #35	CC(O[Si](C)(C)C(C)(C)C)=C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4300.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #36	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4033.4	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #36	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3739.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #36	C=C(O[Si](C)(C)C(C)(C)C)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4185.6	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #37	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4153.3	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #37	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3848.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #37	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O)C(C)(C)S1)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4417.0	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #38	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4175.8	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #38	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	3753.0	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #38	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C	4218.9	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4173.9	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3824.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #39	CC(=O)C(C1SC(C)(C)C(C(=O)O)N1[Si](C)(C)C(C)(C)C)N(C(=O)C(C1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4085.6	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #4	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4014.9	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #4	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3701.6	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #4	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4280.4	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4011.9	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3677.3	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4461.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4018.0	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3622.9	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)C(NC(=O)C(N)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4341.9	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3975.6	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3751.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #7	CC(=O)C(C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4157.7	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4121.7	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	3767.5	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #8	CC(=O)C(NC(=O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)C(C)(C)S1	4179.5	Standard polar	33892256
Amoxicilloyl,4TBDMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3973.8	Semi standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3728.7	Standard non polar	33892256
Amoxicilloyl,4TBDMS,isomer #9	CC(=O)C(NC(=O)C(N[Si](C)(C)C(C)(C)C)C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C1SC(C)(C)C(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3966.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-2900000000-f3ab9f7ed2c6a31adac2	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Amoxicilloyl GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-03	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 - Amoxicilloyl 10V, Positive-QTOF	splash10-066r-0149000000-5bc787a4df332534060b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Amoxicilloyl 20V, Positive-QTOF	splash10-0ck9-1954000000-7efdf8a979661faca549	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Amoxicilloyl 40V, Positive-QTOF	splash10-0229-1900000000-6bfa9eb4efeb6c2ef512	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Amoxicilloyl 10V, Negative-QTOF	splash10-001i-0009000000-bf92e3fd81ce8df2fb3c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Amoxicilloyl 20V, Negative-QTOF	splash10-001r-2493000000-7a645a431f8b1fce6d02	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Amoxicilloyl 40V, Negative-QTOF	splash10-006x-5900000000-376566f709c817d7fbbb	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

156963241

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Amoxicilloyl (HMDB0248351)

MOL for HMDB0248351 (Amoxicilloyl)

3D MOL for HMDB0248351 (Amoxicilloyl)

3D SDF for HMDB0248351 (Amoxicilloyl)

3D-SDF for HMDB0248351 (Amoxicilloyl)

PDB for HMDB0248351 (Amoxicilloyl)

3D PDB for HMDB0248351 (Amoxicilloyl)

SMILES for HMDB0248351 (Amoxicilloyl)

INCHI for HMDB0248351 (Amoxicilloyl)

Structure for HMDB0248351 (Amoxicilloyl)

3D Structure for HMDB0248351 (Amoxicilloyl)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra