smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc2)CC1 ZINC000771852199 1126109052 /nfs/dbraw/zinc/10/90/52/1126109052.db2.gz HHZYBPLTEDDTIM-SFTDATJTSA-N 2 0 407.480 3.063 20 10 HGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc2)CC1 ZINC000771852197 1126109062 /nfs/dbraw/zinc/10/90/62/1126109062.db2.gz HHZYBPLTEDDTIM-RTWAWAEBSA-N 2 0 407.480 3.063 20 10 HGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000771852186 1126109042 /nfs/dbraw/zinc/10/90/42/1126109042.db2.gz HHZYBPLTEDDTIM-LEWJYISDSA-N 2 0 407.480 3.063 20 10 HGCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000771852194 1126109027 /nfs/dbraw/zinc/10/90/27/1126109027.db2.gz HHZYBPLTEDDTIM-NHCUHLMSSA-N 2 0 407.480 3.063 20 10 HGCDRP