smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=c1c(=O)[n-]nc2c(=O)[nH]c3ccccc3n12 ZINC000103150550 181209402 /nfs/dbraw/zinc/20/94/02/181209402.db2.gz YKLVDAITEHEFGE-UHFFFAOYSA-N -1 1 229.199 -0.244 1 5 BBBFMM