smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])cc1C2=O ZINC000049889219 562691907 /nfs/dbraw/zinc/69/19/07/562691907.db2.gz VUFPPHKRSROETE-VXKWHMMOSA-N 3 1 664.728 -2.247 1 10 KACFMP