smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c([N+](=O)[O-])c1 ZINC000329038614 206243231 /nfs/dbraw/zinc/24/32/31/206243231.db2.gz RTFDJTLPBADMIQ-UHFFFAOYSA-N 2 2 386.456 2.222 40 5 GEBBLP