smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000013864560 211654244 /nfs/dbraw/zinc/65/42/44/211654244.db2.gz ZQTSBOQMKAEVOR-SFHVURJKSA-N 2 3 349.523 0.371 1 0 ECAFHP