smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1nnc2ccc(NCCCN3CCCC3=O)nn21)NCC[NH+]1CCOCC1 ZINC000021636717 526664918 /nfs/dbraw/zinc/66/49/18/526664918.db2.gz REKLFQQUWVIFQY-UHFFFAOYSA-N 1 2 444.540 -0.070 10 0 IBAELO