smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)c2c(O)c3ncnnc3nc2n(C)c1=O ZINC000136562425 372985293 /nfs/dbraw/zinc/98/52/93/372985293.db2.gz JZPRYUOOOVAWPI-UHFFFAOYSA-N 0 2 260.213 -1.324 50 5 CABALN Cn1c(=O)c2c(O)c([N+](=O)[O-])c(O)nc2n(C)c1=O ZINC000003998392 374142889 /nfs/dbraw/zinc/14/28/89/374142889.db2.gz CXFMBXVUUMAZJG-UHFFFAOYSA-N 0 2 268.185 -1.048 50 5 CABALN Cc1nnc2nc3c(c(O)c2n1)c(=O)n(C)c(=O)n3C ZINC000108805790 186231665 /nfs/dbraw/zinc/23/16/65/186231665.db2.gz YKJHVHKJKQMDBF-UHFFFAOYSA-N 0 2 274.240 -1.016 50 5 CABALN