smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc3c(=O)n(CC[NH+]4CCCCC4)c(=O)c4ccc(c(=O)n1CCN1CCCCC1)c2c34 ZINC000059484441 569605064 /nfs/dbraw/zinc/60/50/64/569605064.db2.gz QYFDCDPSWGAUOU-UHFFFAOYSA-N 1 3 488.588 2.037 40 5 JEBBHO