smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(O)c(CNCCC[NH2+]Cc2cc(C)cc(C)c2O)c1 ZINC000001718688 563406927 /nfs/dbraw/zinc/40/69/27/563406927.db2.gz ZGMBCDNEUNWSPL-UHFFFAOYSA-N 1 3 342.483 3.601 40 10 EHCBHO [O-]c1cc(C[NH2+]C2CCCCC2)c(O)cc1C[NH2+]C1CCCCC1 ZINC000001679797 563402430 /nfs/dbraw/zinc/40/24/30/563402430.db2.gz KLOQXDRZVQWPHQ-UHFFFAOYSA-N 1 3 332.488 3.942 40 10 EHCBHO