smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(CN2CCN3C[C@H](OCC[NH+]4CCCC4)C[C@H]3C2)c1 ZINC000096183325 209131759 /nfs/dbraw/zinc/13/17/59/209131759.db2.gz UHYRGYAVSVFMGK-LEWJYISDSA-N 1 3 354.498 1.929 40 30 FDEBHO