smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[NH2+]CC[NH3+] ZINC000100967545 567914287 /nfs/dbraw/zinc/91/42/87/567914287.db2.gz QIBKKTQVKFEWCH-UHFFFAOYSA-N 2 1 256.478 4.236 50 30 CIEAMP