smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CC(C)(C)CC(C)(C)[NH2+]CCCN ZINC000001640024 342706828 /nfs/dbraw/zinc/70/68/28/342706828.db2.gz DOTLTZDNWUWACH-UHFFFAOYSA-N 1 3 242.451 3.556 50 0 BHAAHO