smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030208 721831812 /nfs/dbraw/zinc/83/18/12/721831812.db2.gz YZMNBRKWRDOINA-DBVUQKKJSA-N 1 1 418.538 3.180 20 70 HGIDMO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030210 721831938 /nfs/dbraw/zinc/83/19/38/721831938.db2.gz YZMNBRKWRDOINA-PWIZWCRZSA-N 1 1 418.538 3.180 20 70 HGIDMO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030209 721831918 /nfs/dbraw/zinc/83/19/18/721831918.db2.gz YZMNBRKWRDOINA-FFZOFVMBSA-N 1 1 418.538 3.180 20 70 HGIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796998 721504736 /nfs/dbraw/zinc/50/47/36/721504736.db2.gz WGVSSGZJGWUINW-UHFFFAOYSA-N 1 1 418.538 3.324 20 70 HGIDMO Cc1cc(S(=O)(=O)F)cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030211 721831786 /nfs/dbraw/zinc/83/17/86/721831786.db2.gz YZMNBRKWRDOINA-VDGAXYAQSA-N 1 1 418.538 3.180 20 70 HGIDMO