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-])c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000038018518 211353921 /nfs/dbraw/zinc/35/39/21/211353921.db2.gz CWCUHTQPKKDYAO-PWSUYJOCSA-N 0 3 352.297 4.863 20 10 FJCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000038018519 207812217 /nfs/dbraw/zinc/81/22/17/207812217.db2.gz CWCUHTQPKKDYAO-JQWIXIFHSA-N 0 3 352.297 4.863 20 10 FJCDHN