smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H]([NH2+]CCc5cccc(OC)c5)C4=O)cc3)C2=O)c1 ZINC000008412332 553010024 /nfs/dbraw/zinc/01/00/24/553010024.db2.gz HYJAGMYISHREIA-VSGBNLITSA-N 1 3 570.646 2.632 10 0 KFAEHO COc1cccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H]([NH2+]CCc5cccc(OC)c5)C4=O)cc3)C2=O)c1 ZINC000018203546 553610204 /nfs/dbraw/zinc/61/02/04/553610204.db2.gz HYJAGMYISHREIA-NSOVKSMOSA-N 1 3 570.646 2.632 10 0 KFAEHO