smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)[C@H](O)[C@H]2CO)cc1 ZINC000040420999 174257915 /nfs/dbraw/zinc/25/79/15/174257915.db2.gz MWVYPPKYUBDZNB-GRYCIOLGSA-N 1 1 268.269 -0.507 1 5 CBBFMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)[C@H](O)[C@H]2CO)cc1 ZINC000040420999 174257916 /nfs/dbraw/zinc/25/79/16/174257916.db2.gz MWVYPPKYUBDZNB-GRYCIOLGSA-N 1 1 268.269 -0.507 1 5 CBBFMO