smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1C[NH2+]CC[C@@H](S)CC[C@H](S)CC[NH2+]Cc1ccccc1O ZINC000004706512 557585198 /nfs/dbraw/zinc/58/51/98/557585198.db2.gz IGTKLUJOZGTRLI-PMACEKPBSA-N 1 3 420.644 4.134 40 30 HIEBHO [O-]c1ccccc1C[NH2+]CC[C@H](S)CC[C@@H](S)CC[NH2+]Cc1ccccc1O ZINC000004706513 557585181 /nfs/dbraw/zinc/58/51/81/557585181.db2.gz IGTKLUJOZGTRLI-WOJBJXKFSA-N 1 3 420.644 4.134 40 30 HIEBHO