smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc(NC(=O)CSC2=NC(=O)[C@H](c3ccccc3)C(=O)N2)s1 ZINC000005198619 204118394 /nfs/dbraw/zinc/11/83/94/204118394.db2.gz YDXOTZXUDVLIBJ-UHFFFAOYSA-N -2 2 375.435 1.314 50 0 GDAALL COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C(=O)[O-])c1 ZINC000084028426 211164915 /nfs/dbraw/zinc/16/49/15/211164915.db2.gz HNHNITFAFLCLGT-UHFFFAOYSA-N -2 2 385.350 1.802 50 0 GDAALL