smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000001209353 132242523 /nfs/dbraw/zinc/24/25/23/132242523.db2.gz BYGIGKUGUXROJV-XNTDXEJSSA-N 0 1 416.886 4.419 10 10 HICEMN Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)OCc3ccccc3)C[N@@H+](C)[C@H]1C2 ZINC000005550602 560202337 /nfs/dbraw/zinc/20/23/37/560202337.db2.gz WZHJKEUHNJHDLS-ZEYPLWLESA-N 0 1 403.526 4.065 10 10 in-vitro HICEMN Cn1cc2c3c1cccc3[C@@H]1C[C@@H](CNC(=O)OCc3ccccc3)C[N@@H+](C)[C@H]1C2 ZINC000007997796 560206711 /nfs/dbraw/zinc/20/67/11/560206711.db2.gz WZHJKEUHNJHDLS-HARLFGEKSA-N 0 1 403.526 4.065 10 10 in-vitro HICEMN