smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Cn2c[nH+]cc2CC[NH2+][C@H]2CCN(CCc3ccccc3)C2=O)cc1 ZINC000013863854 581101127 /nfs/dbraw/zinc/10/11/27/581101127.db2.gz ZFIIDVFVNVOHRN-DEOSSOPVSA-N 2 2 413.525 2.779 1 30 HFEFLP