smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH]cc([C@H]2[C@H](c3c[nH]c(N)[nH+]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H]2CNC(=O)c2cc(Br)c[nH]2)[nH+]1 ZINC000161381161 562849135 /nfs/dbraw/zinc/84/91/35/562849135.db2.gz YPZNLFZLPZWWAD-BMEPFDOTSA-N 2 1 620.310 2.452 1 70 KEIFMP Nc1[nH]cc([C@H]2[C@H](c3c[nH+]c(N)[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H]2CNC(=O)c2cc(Br)c[nH]2)[nH+]1 ZINC000161381161 562849134 /nfs/dbraw/zinc/84/91/34/562849134.db2.gz YPZNLFZLPZWWAD-BMEPFDOTSA-N 2 1 620.310 2.452 1 70 KEIFMP