smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCNCCC[NH2+]CC ZINC000100016117 219088326 /nfs/dbraw/zinc/08/83/26/219088326.db2.gz MSBQEHHVLDLADY-UHFFFAOYSA-N 1 3 326.613 6.057 50 30 EKEAHO CCCCCCCCCCCCCCCC[NH2+]CCCNCC ZINC000100016117 219088325 /nfs/dbraw/zinc/08/83/25/219088325.db2.gz MSBQEHHVLDLADY-UHFFFAOYSA-N 1 3 326.613 6.057 50 30 EKEAHO CCCCCCCCCCCCCCCCCC[NH2+]CCCN ZINC000100939118 219111899 /nfs/dbraw/zinc/11/18/99/219111899.db2.gz DXYUWQFEDOQSQY-UHFFFAOYSA-N 1 3 326.613 6.186 50 30 EKEAHO