smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=Cn2c(=O)cc(O)[nH]c2=S)C(=O)N1 ZINC000005566550 372774783 /nfs/dbraw/zinc/77/47/83/372774783.db2.gz GAGFZQWYRLNLIT-UHFFFAOYSA-N 0 2 282.237 -1.719 40 10 CACBLN