smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)c1 ZINC000013652036 569398986 /nfs/dbraw/zinc/39/89/86/569398986.db2.gz QGOKBFIFCYHFRH-UHFFFAOYSA-N 1 1 422.536 4.833 30 0 HJACMO Cc1ccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000013652037 569398921 /nfs/dbraw/zinc/39/89/21/569398921.db2.gz SISCTNULNFGYKU-UHFFFAOYSA-N 1 1 422.536 4.833 30 0 HJACMO