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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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ID 680
DB demo
Z56948577
O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1
Formula: C18H12ClN3O2S
MW: 369.83 | LogP: 4.24
TPSA: 71.95
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:
ID 5304
DB demo
OHD_DCM_44
O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc2c(c1)OCCOCCOCCOCCO2
Formula: C30H33N3O7
MW: 547.61 | LogP: 2.87
TPSA: 98.80
Patterns: