smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@@H](N)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064559220 717132619 /nfs/dbraw/zinc/13/26/19/717132619.db2.gz YHAMNTJDHADVNT-XMMPIXPASA-N 1 3 420.662 4.901 1 30 HJEFHO CCCCCCCCCC[C@H](N)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064559219 717132298 /nfs/dbraw/zinc/13/22/98/717132298.db2.gz YHAMNTJDHADVNT-DEOSSOPVSA-N 1 3 420.662 4.901 1 30 HJEFHO CCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573101 717132550 /nfs/dbraw/zinc/13/25/50/717132550.db2.gz TXTWPAPQHKRETD-QHCPKHFHSA-N 1 3 406.635 4.511 1 30 HJEFHO CCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573104 717132446 /nfs/dbraw/zinc/13/24/46/717132446.db2.gz TXTWPAPQHKRETD-HSZRJFAPSA-N 1 3 406.635 4.511 1 30 HJEFHO