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-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)cs1 ZINC000690867714 976339447 /nfs/dbraw/zinc/33/94/47/976339447.db2.gz XXZLGYCXSQVBCT-UHFFFAOYSA-N -2 3 396.671 3.663 10 0 GHAEHL COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc(OC)c1[O-] ZINC000006733076 206667923 /nfs/dbraw/zinc/66/79/23/206667923.db2.gz YXXZNDQBUCPWDD-UHFFFAOYSA-N -2 3 391.383 3.713 10 0 GHAEHL COc1cc(=O)c2c([O-])c(OC)c(-c3cccc(Cl)c3[O-])oc-2c1OC ZINC000005998755 212147989 /nfs/dbraw/zinc/14/79/89/212147989.db2.gz JLSQXYITDXJTKL-UHFFFAOYSA-N -2 3 378.764 3.550 10 0 in-vitro GHAEHL