smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(=O)[n-]c([O-])cc1-c1ccccc1 ZINC000035668702 181071925 /nfs/dbraw/zinc/07/19/25/181071925.db2.gz RKCOTKNKKXMGTC-UHFFFAOYSA-N -2 1 212.208 2.031 10 30 BEEEML