smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)c([O-])c(C(C)C)c1 ZINC000217756393 535343275 /nfs/dbraw/zinc/34/32/75/535343275.db2.gz GXPPZYDFKVUJGJ-INIZCTEOSA-N -1 3 333.472 4.280 50 70 EIIAHM CC(C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)c([O-])c(C(C)C)c1 ZINC000217756465 535343404 /nfs/dbraw/zinc/34/34/04/535343404.db2.gz GXPPZYDFKVUJGJ-MRXNPFEDSA-N -1 3 333.472 4.280 50 70 EIIAHM