smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH]c3c(cc4c(cc[nH+]c4NCCC[NH+](C)C)c3C)c2c1 ZINC000006069484 204236508 /nfs/dbraw/zinc/23/65/08/204236508.db2.gz RBRPOEZTVFGXDV-UHFFFAOYSA-N 2 1 362.477 4.550 1 5 FJBFMP