smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2ccccc2c2cnccc21 29062240 167796932 /nfs/dbraw/zinc/79/69/32/167796932.db2.gz KHJVXHPPMMSRIE-UHFFFAOYSA-N 0 3 196.253 3.209 1 0 AGAFHN