smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1c[nH+]c(NC2CCCC2)nc1NC1CCCC1 ZINC000504430029 262496222 /nfs/dbraw/zinc/49/62/22/262496222.db2.gz QATIDZKKYWRRDV-UHFFFAOYSA-N 1 2 325.254 3.370 30 0 EGACLO