smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OC)c1 ZINC000033323229 523415444 /nfs/dbraw/zinc/41/54/44/523415444.db2.gz BOCKDTRKUYBPDS-DHDCSXOGSA-N 0 2 445.269 4.281 10 10 IICELN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000001201100 132239329 /nfs/dbraw/zinc/23/93/29/132239329.db2.gz GBTWDVPHTXXPNR-SFQUDFHCSA-N 0 2 433.376 4.370 10 10 IICELN