smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3cc(O)[nH]c(=O)c3)C[C@@H](C1)O2 ZINC001271800713 790368219 /nfs/dbraw/zinc/36/82/19/790368219.db2.gz GADLNGXNNRQMPH-PHIMTYICSA-N 0 2 372.403 -1.176 20 10 FACDLN