smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cn(CCNC(=O)c2ccc(I)c([O-])c2)c(=O)[n-]c1=O ZINC001585295776 1072145227 /nfs/dbraw/zinc/14/52/27/1072145227.db2.gz MIOZCQUQJMMOTO-UHFFFAOYSA-N -2 1 426.170 0.561 20 30 ICEDML