smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257326762 572318477 /nfs/dbraw/zinc/31/84/77/572318477.db2.gz WYMXANSSNVLHGN-MUUNZHRXSA-N 2 1 500.083 4.488 40 10 KICBMP Cc1ccc(O)c(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257326762 572318475 /nfs/dbraw/zinc/31/84/75/572318475.db2.gz WYMXANSSNVLHGN-MUUNZHRXSA-N 2 1 500.083 4.488 40 10 KICBMP Cc1ccc(O)c(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257326763 572318459 /nfs/dbraw/zinc/31/84/59/572318459.db2.gz WYMXANSSNVLHGN-NDEPHWFRSA-N 2 1 500.083 4.488 40 10 KICBMP Cc1ccc(O)c(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000257326763 572318457 /nfs/dbraw/zinc/31/84/57/572318457.db2.gz WYMXANSSNVLHGN-NDEPHWFRSA-N 2 1 500.083 4.488 40 10 KICBMP