smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH][nH]c(=O)c1N=Nc1ccc(C)cc1C ZINC000018094006 178360594 /nfs/dbraw/zinc/36/05/94/178360594.db2.gz GEZIHOMMAKRDTM-PFONDFGASA-N 0 2 230.271 3.456 1 10 BGCFLN