smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc([O-])c(OC)c2)=N\NC(=O)C[N+](C)(C)C)c1 ZINC000005889184 717102922 /nfs/dbraw/zinc/10/29/22/717102922.db2.gz OODYGKFUHFEBLN-VUTHCHCSSA-O 0 3 529.614 2.978 40 50 KFGBHN COc1ccc(OC)c(NC(=O)CCC/C(CC(=O)c2ccc([O-])c(OC)c2)=N/NC(=O)C[N+](C)(C)C)c1 ZINC000017194853 717112365 /nfs/dbraw/zinc/11/23/65/717112365.db2.gz OODYGKFUHFEBLN-CEUNXORHSA-O 0 3 529.614 2.978 40 50 KFGBHN