smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CNCC3)cc1 ZINC000034230886 581096731 /nfs/dbraw/zinc/09/67/31/581096731.db2.gz AXAWARWVQYJXEC-UHFFFAOYSA-N 2 3 402.564 1.292 1 0 HDAFHP