smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2cc3c(Nc4ccc([NH+]5CCCCC5)cc4)cc[nH+]c3cc2c1 ZINC000001547859 132382130 /nfs/dbraw/zinc/38/21/30/132382130.db2.gz VMJRSVFNMYUSKY-UHFFFAOYSA-N 2 2 353.469 6.122 50 5 FKBALP c1ccc2cc3c(Nc4ccc([NH+]5CCCCCC5)cc4)cc[nH+]c3cc2c1 ZINC000002605597 206154497 /nfs/dbraw/zinc/15/44/97/206154497.db2.gz PXCYPLLNSFPPBS-UHFFFAOYSA-N 2 2 367.496 6.512 50 5 FKBALP