smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2[nH+]c2c3ccccc3ccc12 ZINC000005419479 342763576 /nfs/dbraw/zinc/76/35/76/342763576.db2.gz LZUFUDJVBHLHFC-UHFFFAOYSA-N 1 2 243.309 4.850 10 5 BJBELO