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 717189835 /nfs/dbraw/zinc/18/98/35/717189835.db2.gz LQRMGKYOLRJJPX-ZWKOTPCHSA-O 2 0 343.495 2.097 20 50 EEGDRP C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000794456600 717189998 /nfs/dbraw/zinc/18/99/98/717189998.db2.gz LQRMGKYOLRJJPX-QZTJIDSGSA-O 2 0 343.495 2.097 20 50 EEGDRP C[N+](C)(C)CC(=O)NN=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000794456602 717189698 /nfs/dbraw/zinc/18/96/98/717189698.db2.gz LQRMGKYOLRJJPX-ROUUACIJSA-O 2 0 343.495 2.097 20 50 EEGDRP C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000794456569 717189985 /nfs/dbraw/zinc/18/99/85/717189985.db2.gz LQRMGKYOLRJJPX-MSOLQXFVSA-O 2 0 343.495 2.097 20 50 EEGDRP