smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](O[P@@](=O)([O-])O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003874622 562939209 /nfs/dbraw/zinc/93/92/09/562939209.db2.gz HARXAJAHMRMERT-JKSUJKDBSA-N -1 2 445.409 2.732 1 5 IFBFLM CCCC[C@@H](O[P@](=O)([O-])O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003874622 562939210 /nfs/dbraw/zinc/93/92/10/562939210.db2.gz HARXAJAHMRMERT-JKSUJKDBSA-N -1 2 445.409 2.732 1 5 IFBFLM CCCC[C@H](O[P@@](=O)([O-])O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003874621 562939213 /nfs/dbraw/zinc/93/92/13/562939213.db2.gz HARXAJAHMRMERT-HOTGVXAUSA-N -1 2 445.409 2.732 1 5 in-vivo IFBFLM CCCC[C@H](O[P@](=O)([O-])O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003874621 562939214 /nfs/dbraw/zinc/93/92/14/562939214.db2.gz HARXAJAHMRMERT-HOTGVXAUSA-N -1 2 445.409 2.732 1 5 in-vivo IFBFLM