smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([NH+]=CC=CCc2ccc3ccccc3[n+]2C)cc1 ZINC000003129752 563473493 /nfs/dbraw/zinc/47/34/93/563473493.db2.gz BIDSKIQXFJAHMF-UHFFFAOYSA-O 2 1 331.439 4.702 50 10 EJCAMP