smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cc(-c2ccnc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2)n1C(C)C ZINC000040847512 581091377 /nfs/dbraw/zinc/09/13/77/581091377.db2.gz AEMJGAHADFWBRW-UHFFFAOYSA-N 2 2 419.533 3.361 1 0 HGAFLP