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)c1ccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000218077744 570324982 /nfs/dbraw/zinc/32/49/82/570324982.db2.gz KZVJNSSSGGXQHU-UHFFFAOYSA-N 1 2 380.532 4.005 40 70 GIIBLO