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)c1cccc2nc3ccc4c(OCCC[NH+](C)C)cccc4c3nc21 ZINC000027763579 563046992 /nfs/dbraw/zinc/04/69/92/563046992.db2.gz HBFFTQYLLICTHD-UHFFFAOYSA-N 1 3 445.567 3.558 1 10 IHCFHO COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCC[NH3+])CC3)c2c1 ZINC000029312148 563077578 /nfs/dbraw/zinc/07/75/78/563077578.db2.gz BGRGIQMKRZGCPC-UHFFFAOYSA-N 1 3 442.007 3.818 1 10 IHCFHO