smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000012347424 570365227 /nfs/dbraw/zinc/36/52/27/570365227.db2.gz FVGKABKQZXPXPA-UHFFFAOYSA-N -1 2 379.354 0.821 50 5 GCBALM Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOC(=O)CCC(=O)[O-])c2cc1C ZINC000001666570 206388167 /nfs/dbraw/zinc/38/81/67/206388167.db2.gz SCFUAUCXRARYED-UHFFFAOYSA-N -1 2 386.364 0.609 50 5 GCBALM