smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794456606 717189839 /nfs/dbraw/zinc/18/98/39/717189839.db2.gz LQRMGKYOLRJJPX-ZWKOTPCHSA-O 2 1 343.495 2.097 20 50 EEGDMP C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794456600 717189999 /nfs/dbraw/zinc/18/99/99/717189999.db2.gz LQRMGKYOLRJJPX-QZTJIDSGSA-O 2 1 343.495 2.097 20 50 EEGDMP C[N+](C)(C)CC(=O)NN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794456602 717189702 /nfs/dbraw/zinc/18/97/02/717189702.db2.gz LQRMGKYOLRJJPX-ROUUACIJSA-O 2 1 343.495 2.097 20 50 EEGDMP C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794456569 717189986 /nfs/dbraw/zinc/18/99/86/717189986.db2.gz LQRMGKYOLRJJPX-MSOLQXFVSA-O 2 1 343.495 2.097 20 50 EEGDMP