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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 2295
DB demo
Z56775819
N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12
Formula: C17H12N6O2S
MW: 364.39 | LogP: 1.67
TPSA: 140.68
Patterns: