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|
**** Read CDX from file ****
*****
0
Smiles:
C1(N[C@H](C(N[C@@H](C(O[C@@H](C)[C@H](C(NCC1)=O)NC(CC1=CC=CC=C1)=O)=O)CC1C2C=CC=CC=2NC=1)=O)CC1C2C=CC=CC=2NC=1)=O
Molfile:
-INDIGO-01000000002D
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M END
Properties:
*****
1
Smiles:
C1(=O)CCNC(=O)[C@@H]([C@@H](OC(=O)[C@H](NC(=O)[C@@H](N1)CC1=CNC2=C1C=CC=C2)CC1=CNC2=C1C=CC=C2)C)NC(CC1=CC=CC=C1)=O
Molfile:
-INDIGO-01000000002D
49 54 0 0 1 0 0 0 0 0999 V2000
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44 49 2 0 0 0 0
43 44 1 0 0 0 0
35 41 1 0 0 0 0
M END
Properties:
Description: Test Description
Name: Test Name object
Other Info: Test other info annotation
Test annotation: Test annotation content
*****
2
Smiles:
C1(=O)CCNC(=O)[C@@H]([C@@H](OC(=O)[C@H](NC(=O)[C@@H](N1)CC1=CNC2=C1C=CC=C2)CC1=CNC2=C1C=CC=C2)C)NC(CC1=CC=CC=C1)=O
Molfile:
-INDIGO-01000000002D
49 54 0 0 1 0 0 0 0 0999 V2000
8.0285 40.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9451 40.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
Properties:
*****
3
Smiles:
C[C@@H]1OC(=O)CCNC(=O)[C@H](Cc2c3ccccc3nc2)NC(=O)[C@@H](Cc2c3ccccc3nc2)NC(=O)[C@@H]1NC(Cc1ccccc1)=O
Molfile:
-INDIGO-01000000002D
49 54 0 0 1 0 0 0 0 0999 V2000
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