smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=O)[nH]c3=O)cc2)n1 ZINC000018098358 558831132 /nfs/dbraw/zinc/83/11/32/558831132.db2.gz WBCQMIOWOGTBRI-QURGRASLSA-N -2 2 402.396 0.960 40 10 HCCBLL O=C1c2c([O-])cc(S(=O)(=O)[O-])c([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000020192027 527119878 /nfs/dbraw/zinc/11/98/78/527119878.db2.gz GGNWFGMEEKCPDG-UHFFFAOYSA-N -2 2 410.272 0.936 40 10 HCCBLL