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]c(=O)[n-]c(=O)c1N=Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000110143320 1072658909 /nfs/dbraw/zinc/65/89/09/1072658909.db2.gz SQEICCJHZQNSLF-YBFXNURJSA-N -1 3 380.386 -0.504 40 30 GBEBHM