smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1cc(N)c2ccc3ccccc3c2n1 ZINC000042920478 172545116 /nfs/dbraw/zinc/54/51/16/172545116.db2.gz BHZMTYBQGBYIKQ-UHFFFAOYSA-N 0 3 237.306 3.036 1 5 BGBFHN