smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC([NH3+])(CC=C)c1ccc(C([NH3+])(CC=C)CC=C)cc1 ZINC000004177856 567855802 /nfs/dbraw/zinc/85/58/02/567855802.db2.gz VLHJPKBKGFHYDC-UHFFFAOYSA-N 2 0 296.458 4.299 50 30 CIEARP c1cc(NC2=[NH+]CCCCC2)ccc1NC1=[NH+]CCCCC1 ZINC000003196101 567851994 /nfs/dbraw/zinc/85/19/94/567851994.db2.gz BMSAFTYQNBMZHK-UHFFFAOYSA-N 2 0 298.434 4.074 50 30 CIEARP