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)=CCc1c(=O)c2ccccc2c2nc3ccccc3[n-]c1-2 ZINC000040640163 183113235 /nfs/dbraw/zinc/11/32/35/183113235.db2.gz HUJGFZRWKWRIEH-UHFFFAOYSA-N -1 3 314.388 5.151 1 10 DKCFHM