smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)C[N@H+]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000032777838 208042829 /nfs/dbraw/zinc/04/28/29/208042829.db2.gz ITHWAODKKUIXRZ-UHFFFAOYSA-N 1 1 362.434 -1.008 50 30 FAEAMO CC(C)NC(=O)C[N@@H+]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000032777838 208042822 /nfs/dbraw/zinc/04/28/22/208042822.db2.gz ITHWAODKKUIXRZ-UHFFFAOYSA-N 1 1 362.434 -1.008 50 30 FAEAMO