smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1CS(=O)(=O)C(C#N)=CN1N1CCN(C)CC1 ZINC000217041714 264270277 /nfs/dbraw/zinc/27/02/77/264270277.db2.gz QCEIKPYIGICFGJ-LBPRGKRZSA-N 0 0 299.400 -0.868 50 50 CBGARN CN(C)[C@H]1CS(=O)(=O)C(C#N)=CN1N1CCN(C)CC1 ZINC000217041747 264270149 /nfs/dbraw/zinc/27/01/49/264270149.db2.gz QCEIKPYIGICFGJ-GFCCVEGCSA-N 0 0 299.400 -0.868 50 50 CBGARN