smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCSCC3)cc2F)CC1 ZINC000732891063 1075894238 /nfs/dbraw/zinc/89/42/38/1075894238.db2.gz WHQNXVISFGXIAR-UHFFFAOYSA-N 1 3 409.575 1.816 20 10 HDCDHO