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)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219922 717132332 /nfs/dbraw/zinc/13/23/32/717132332.db2.gz VSPBSYNJXYMUAE-CBAPKCEASA-O 0 0 236.719 1.328 40 50 BDGBRN CCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219919 717132468 /nfs/dbraw/zinc/13/24/68/717132468.db2.gz VSPBSYNJXYMUAE-IONNQARKSA-O 0 0 236.719 1.328 40 50 BDGBRN CCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219921 717132463 /nfs/dbraw/zinc/13/24/63/717132463.db2.gz VSPBSYNJXYMUAE-APPZFPTMSA-O 0 0 236.719 1.328 40 50 BDGBRN CCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219918 717132697 /nfs/dbraw/zinc/13/26/97/717132697.db2.gz VSPBSYNJXYMUAE-VXNVDRBHSA-O 0 0 236.719 1.328 40 50 BDGBRN