smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccccc1NC(=S)[S-] 87492644 343661759 /nfs/dbraw/zinc/66/17/59/343661759.db2.gz QEBKAKVAFAHYSM-UHFFFAOYSA-N -1 2 197.328 2.876 50 0 AFAALM [S-]c1cc(S)cc(S)c1 34333991 171054966 /nfs/dbraw/zinc/05/49/66/171054966.db2.gz KXCKKUIJCYNZAE-UHFFFAOYSA-N -1 2 174.315 2.553 50 0 in-vitro AFAALM