smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N(C)CCc3ccccn3)cc1CNCC2=O ZINC000072320728 553647903 /nfs/dbraw/zinc/64/79/03/553647903.db2.gz UMTZKVQBOWCVEJ-DQEYMECFSA-N 0 3 550.748 2.555 10 10 KFCEHN O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CCNCC3)cc1CNCC2=O)NCc1ccc(Cl)cc1 ZINC000100035124 554187932 /nfs/dbraw/zinc/18/79/32/554187932.db2.gz PJZLDIHPTNYEHS-DRYSHGSZSA-N 0 3 552.119 2.959 10 10 KFCEHN