smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)c(N3CCN(C)CC3)cc2n(C)c1=O ZINC000408529732 555724144 /nfs/dbraw/zinc/72/41/44/555724144.db2.gz HTKSVQQTQNVJBT-UHFFFAOYSA-N 0 1 441.492 -0.025 40 10 IBCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCC(N)=O ZINC000409219657 557013350 /nfs/dbraw/zinc/01/33/50/557013350.db2.gz SWGOJVFXWXRNML-UHFFFAOYSA-N 0 1 445.169 -0.087 40 10 IBCBMN