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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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ID 219
DB demo
Z29514151
Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1
Formula: C23H24N2O6S
MW: 456.52 | LogP: 2.59
TPSA: 89.29
Patterns:
ID 4037
DB demo
Z49628846
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2o1
Formula: C21H16N2O3
MW: 344.37 | LogP: 4.45
TPSA: 74.83
Patterns: