smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(-c2nc3sc4ccccc4n3c2CN2CC[NH2+]CC2)cc1 ZINC000022464888 518208344 /nfs/dbraw/zinc/20/83/44/518208344.db2.gz VXPOQGIEGOLYIV-UHFFFAOYSA-N 1 0 427.371 4.384 30 0 IIACRO