smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN([C@@H]2CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2O)CC1 ZINC000019720491 210157071 /nfs/dbraw/zinc/15/70/71/210157071.db2.gz QLYKDCMBMFGIDB-NHCUHLMSSA-N 1 3 371.525 0.992 50 30 FCEAHO CN1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2O)CC1 ZINC000019720491 210157076 /nfs/dbraw/zinc/15/70/76/210157076.db2.gz QLYKDCMBMFGIDB-NHCUHLMSSA-N 1 3 371.525 0.992 50 30 FCEAHO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2O)CC1 ZINC000019720491 210157067 /nfs/dbraw/zinc/15/70/67/210157067.db2.gz QLYKDCMBMFGIDB-NHCUHLMSSA-N 1 3 371.525 0.992 50 30 FCEAHO