smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCCC[NH+]1CCC(F)(F)CC1 ZINC000085652807 188124350 /nfs/dbraw/zinc/12/43/50/188124350.db2.gz DMEGZBLZSYYKMS-UHFFFAOYSA-N 1 0 202.248 2.411 30 30 BEECRO