smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)c1c(ccc3cc[n+](CC[NH+]4CCCCC4)cc13)n2C ZINC000005161530 207085026 /nfs/dbraw/zinc/08/50/26/207085026.db2.gz FMKATJJXYCYEMZ-UHFFFAOYSA-N 2 1 374.508 4.267 1 5 FIBFMP