smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccccc2[nH]c2c(Cl)ccc([O-])c12 ZINC000058608780 182987813 /nfs/dbraw/zinc/98/78/13/182987813.db2.gz JQSILTIVPFEGLU-UHFFFAOYSA-N -1 3 245.665 3.040 1 5 BGBFHM O=c1ccc(Cl)c2[nH]c3ccccc3c([O-])c1-2 ZINC000058608780 182987812 /nfs/dbraw/zinc/98/78/12/182987812.db2.gz JQSILTIVPFEGLU-UHFFFAOYSA-N -1 3 245.665 3.040 1 5 BGBFHM