smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)[C@@H]1C[C@@H](n2cc(C[N-]S(=O)(=O)c3cccc(C#N)c3)nn2)C[NH2+]1 ZINC000067790340 211020951 /nfs/dbraw/zinc/02/09/51/211020951.db2.gz DPKZOHKDUZEXEM-HIFRSBDPSA-N 0 3 389.441 -0.723 50 30 GBEAHN