smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)Cc2ccccc2O)CC1 ZINC000012436362 558409016 /nfs/dbraw/zinc/40/90/16/558409016.db2.gz AIMXMAKHAWSHEA-UHFFFAOYSA-N 2 1 415.581 5.010 50 10 HKCAMP