smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)N)ccc12 ZINC000002560932 557356631 /nfs/dbraw/zinc/35/66/31/557356631.db2.gz AJIRULQIKVSCED-FZMZJTMJSA-N 1 3 402.455 0.135 10 0 HCAEHO