smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([NH+](CC(C)C)CC(C)C)cc1 ZINC000005284544 175137174 /nfs/dbraw/zinc/13/71/74/175137174.db2.gz LEWUERBZYJDAME-UHFFFAOYSA-N 1 1 235.371 3.814 1 10 BHCFMO