smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233692 219273706 /nfs/dbraw/zinc/27/37/06/219273706.db2.gz QZHHETOFBVWHFI-UHFFFAOYSA-N 2 2 341.648 6.106 1 30 EKEFLP