smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCN(CC(=O)N4CCOCC4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514300962 1066252109 /nfs/dbraw/zinc/25/21/09/1066252109.db2.gz VENMONMTGGJMED-UHFFFAOYSA-N -1 3 517.608 1.993 20 5 KDBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514389799 1066308077 /nfs/dbraw/zinc/30/80/77/1066308077.db2.gz NALFTVYUBIEHRQ-UHFFFAOYSA-N -1 3 531.591 1.520 20 5 KDBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(=O)NCCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000514395845 1066338992 /nfs/dbraw/zinc/33/89/92/1066338992.db2.gz VNHRLODGFHJIGZ-UHFFFAOYSA-N -1 3 519.580 1.789 20 5 KDBDHM