smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C)c1Nc1ncc(C2=CCC(C[NH+]3CCCC3)=[S+]2)n2c[nH+]cc12 ZINC000028639686 581092966 /nfs/dbraw/zinc/09/29/66/581092966.db2.gz LZLRLYRVZHHTNI-UHFFFAOYSA-N 3 2 404.563 4.185 1 30 HIEFLP