smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[C@H]([NH2+]C[C@@H]([NH3+])CS)C(=O)NCc1ccc(OC)cc1 ZINC000038311864 213207911 /nfs/dbraw/zinc/20/79/11/213207911.db2.gz HSFAOLDWEWEHNY-XPKDYRNWSA-N 2 2 339.505 1.573 1 30 EDEFLP