smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)O[C@H](CO)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000013542215 717108417 /nfs/dbraw/zinc/10/84/17/717108417.db2.gz UQKHQGLDMCRPFS-SNVBAGLBSA-O 0 1 314.295 0.140 1 5 DCBFMN COC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000013514469 717108757 /nfs/dbraw/zinc/10/87/57/717108757.db2.gz PHIZERZKVIUDPM-NSHDSACASA-O 0 1 314.295 0.404 1 5 DCBFMN COC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000013514471 717108495 /nfs/dbraw/zinc/10/84/95/717108495.db2.gz PHIZERZKVIUDPM-LLVKDONJSA-O 0 1 314.295 0.404 1 5 DCBFMN CCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000013508640 717108703 /nfs/dbraw/zinc/10/87/03/717108703.db2.gz YYZULYFULDDFDM-SNVBAGLBSA-O 0 1 314.295 0.140 1 5 DCBFMN CCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000038791424 717126315 /nfs/dbraw/zinc/12/63/15/717126315.db2.gz PCZQIVIHHPZDRR-LLVKDONJSA-O 0 1 300.312 0.878 1 5 DCBFMN