smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1 ZINC000218237556 571603701 /nfs/dbraw/zinc/60/37/01/571603701.db2.gz CUCPUQPFVKZNFV-GOSISDBHSA-N -1 3 512.484 4.497 50 70 KIIAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cc(F)c(F)c(F)c2)o1 ZINC000218237625 571603704 /nfs/dbraw/zinc/60/37/04/571603704.db2.gz CUCPUQPFVKZNFV-SFHVURJKSA-N -1 3 512.484 4.497 50 70 KIIAHM