smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCN=C1CC(C)(C)c2cc(Cl)ccc2N1 ZINC000096908684 185391054 /nfs/dbraw/zinc/39/10/54/185391054.db2.gz HIVFAGONXYMEDS-UHFFFAOYSA-N 1 3 321.896 4.564 1 30 DJEFHO