-ISIS-  08091621332D

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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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  5  4  2  0  0  0  0
 14 10  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <ID> (BBL000781)
BBL000781

>  <Rotatable_Bonds> (BBL000781)
6

>  <logP> (BBL000781)
3.119

>  <PSA> (BBL000781)
88.34

>  <H_Donors> (BBL000781)
4

>  <H_Acceptors> (BBL000781)
3

>  <Number_of_rings> (BBL000781)
3

>  <NAME> (BBL000781)
3-(2-aminoethyl)-5-(benzyloxy)-1H-indole-2-carboxylic acid

>  <Mol_Weight> (BBL000781)
310.35

>  <Mol_Formula> (BBL000781)
C18H18N2O3

>  <Smiles> (BBL000781)
NCCc1c([nH]c2c1cc(OCc1ccccc1)cc2)C(=O)O

>  <Alternative_identifier> (BBL000781)
MFCD00397171

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