smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc([P@@](=O)([O-])O)c([S-])c(-c2ccccc2)c1[N+](=O)[O-] ZINC000221265630 474160278 /nfs/dbraw/zinc/16/02/78/474160278.db2.gz ANZBXPDCAOLKNN-NSHDSACASA-N -2 2 339.309 2.941 10 10 EFCELL CCc1cc([P@](=O)([O-])O)c([S-])c(-c2ccccc2)c1[N+](=O)[O-] ZINC000221265630 474160283 /nfs/dbraw/zinc/16/02/83/474160283.db2.gz ANZBXPDCAOLKNN-NSHDSACASA-N -2 2 339.309 2.941 10 10 EFCELL CCc1cc([P@@](=O)([O-])O)c([S-])c(-c2ccccc2)c1[N+](=O)[O-] ZINC000221265685 474159400 /nfs/dbraw/zinc/15/94/00/474159400.db2.gz ANZBXPDCAOLKNN-LLVKDONJSA-N -2 2 339.309 2.941 10 10 EFCELL CCc1cc([P@](=O)([O-])O)c([S-])c(-c2ccccc2)c1[N+](=O)[O-] ZINC000221265685 474159404 /nfs/dbraw/zinc/15/94/04/474159404.db2.gz ANZBXPDCAOLKNN-LLVKDONJSA-N -2 2 339.309 2.941 10 10 EFCELL