smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCC[NH2+]CCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101654266 222280367 /nfs/dbraw/zinc/28/03/67/222280367.db2.gz HMLDKEGHRSPRSY-UHFFFAOYSA-N 2 0 365.477 2.801 1 30 FFEFRP