smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)c([O-])c([C@H](CC(N)=O)c2ccc([O-])c(Cl)c2)o1 ZINC000218295138 402295532 /nfs/dbraw/zinc/29/55/32/402295532.db2.gz YKZFMCGRQGQSLG-SECBINFHSA-N -2 3 323.732 2.020 50 70 DEIAHL Cc1cc(=O)c([O-])c([C@@H](CC(N)=O)c2ccc([O-])c(Cl)c2)o1 ZINC000218295207 402295402 /nfs/dbraw/zinc/29/54/02/402295402.db2.gz YKZFMCGRQGQSLG-VIFPVBQESA-N -2 3 323.732 2.020 50 70 DEIAHL