smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000788210253 637858922 /nfs/dbraw/zinc/85/89/22/637858922.db2.gz UJEUEZKBBQNNCP-LLVKDONJSA-N -2 1 385.423 -0.170 20 10 GBCDML NC(=O)[C@@H](O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000788210264 637859034 /nfs/dbraw/zinc/85/90/34/637859034.db2.gz UJEUEZKBBQNNCP-NSHDSACASA-N -2 1 385.423 -0.170 20 10 GBCDML NC(=O)[C@H](CO)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000804357055 637924108 /nfs/dbraw/zinc/92/41/08/637924108.db2.gz WJTXOLXLNZMBJU-JTQLQIEISA-N -2 1 385.423 -0.170 20 10 GBCDML