smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2nc3cc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)c1 ZINC000013652036 569398985 /nfs/dbraw/zinc/39/89/85/569398985.db2.gz QGOKBFIFCYHFRH-UHFFFAOYSA-N 1 0 422.536 4.833 30 0 HJACRO Cc1ccc(-c2nc3cc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000013652037 569398920 /nfs/dbraw/zinc/39/89/20/569398920.db2.gz SISCTNULNFGYKU-UHFFFAOYSA-N 1 0 422.536 4.833 30 0 HJACRO