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)/C=C/c1cccc2nc3ccccc3cc12 ZINC000028384934 172351384 /nfs/dbraw/zinc/35/13/84/172351384.db2.gz MLYMOGHZCLHDJA-ZHACJKMWSA-N 0 3 248.329 3.920 1 5 BHBFHN