smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)[O-] ZINC000005523474 170108048 /nfs/dbraw/zinc/10/80/48/170108048.db2.gz QAPASXSIRIJMAD-UITAMQMPSA-N -1 2 289.158 4.357 40 0 CIABLM O=C([O-])c1sc2c(c1Cl)c(O)c(Cl)cc2Cl ZINC000228940464 570373374 /nfs/dbraw/zinc/37/33/74/570373374.db2.gz GLVLQSIGSVSOKV-UHFFFAOYSA-N -1 2 297.546 4.265 40 0 CIABLM CCCC/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)[O-] ZINC000008614581 170343102 /nfs/dbraw/zinc/34/31/02/170343102.db2.gz QAPASXSIRIJMAD-WEVVVXLNSA-N -1 2 289.158 4.357 40 0 CIABLM