smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc7ccccc7c6)[nH]c5c4)nc3c2)CC1 ZINC000013652039 555554086 /nfs/dbraw/zinc/55/40/86/555554086.db2.gz FJXFKDPHPUCTJZ-UHFFFAOYSA-N 1 1 458.569 5.678 30 0 JKACMO