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][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000100789915 209216927 /nfs/dbraw/zinc/21/69/27/209216927.db2.gz BPVQLIWDRZKNJN-FZQCLQRZSA-N 0 2 365.400 0.798 1 10 FCCFLN C[NH+](C)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1[O-] ZINC000013727947 211053512 /nfs/dbraw/zinc/05/35/12/211053512.db2.gz GZHYGBSJJZPBHI-UHFFFAOYSA-N 0 2 360.413 0.527 1 10 FCCFLN