smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064549248 717132477 /nfs/dbraw/zinc/13/24/77/717132477.db2.gz VXVHVCKLOCUFFL-LJQANCHMSA-N 1 3 350.527 2.951 1 5 FFBFHO CCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064549247 717132602 /nfs/dbraw/zinc/13/26/02/717132602.db2.gz VXVHVCKLOCUFFL-IBGZPJMESA-N 1 3 350.527 2.951 1 5 FFBFHO NCCC[NH2+]CCCNCC(=O)Nc1c2ccccc2cc2ccccc21 ZINC000169328047 206251633 /nfs/dbraw/zinc/25/16/33/206251633.db2.gz HRXULYQLLKLJGM-UHFFFAOYSA-N 1 3 364.493 2.850 1 5 FFBFHO