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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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ID 3926
DB demo
ulfkktlib_2320
O=C(N[C@@H]1CN(/C=C2\C(=O)N[C@@H](Cc3ccccc3)C2=O)NC1=O)OCc1ccccc1
Formula: C23H22N4O5
MW: 434.45 | LogP: 0.82
TPSA: 116.84
Patterns:
ID 3958
DB demo
ulfkktlib_1132
CC1(C)OC(=O)C(C(=O)CNC(=O)CNC(=O)OCc2ccccc2)C(=O)O1
Formula: C18H20N2O8
MW: 392.36 | LogP: 0.05
TPSA: 137.10
Patterns: