smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3cccc4ccccc43)CC2)c(O)c1 ZINC000019773340 558280531 /nfs/dbraw/zinc/28/05/31/558280531.db2.gz QVTXXDKOBLBANO-ZXVVBBHZSA-N 2 2 416.569 4.543 50 30 HJEALP