smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000160654674 361322390 /nfs/dbraw/zinc/32/23/90/361322390.db2.gz ANKOQLHKNCHLKT-UHFFFAOYSA-N 1 2 223.298 -1.940 20 70 BAIDLO NS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000160783162 349319501 /nfs/dbraw/zinc/31/95/01/349319501.db2.gz ONQOUGMWMIULOJ-UHFFFAOYSA-N 1 2 223.298 -1.498 20 70 BAIDLO