smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c4[nH]c5c(cccc5Cl)c4c4c(c3c3cccc(Cl)c32)C(=O)[N-]C4=O)O[C@H]1CO ZINC000003873882 561684257 /nfs/dbraw/zinc/68/42/57/561684257.db2.gz QEHOIJJIZXRMAN-RRBJNQGOSA-N -1 3 570.385 3.246 10 5 KGBEHM CO[C@H]1[C@H](O)[C@H](O)[C@@H](n2c3c4[nH]c5c(cccc5Cl)c4c4c(c3c3cccc(Cl)c32)C(=O)[N-]C4=O)O[C@H]1CO ZINC000105414685 562825236 /nfs/dbraw/zinc/82/52/36/562825236.db2.gz QEHOIJJIZXRMAN-OMIPMBFTSA-N -1 3 570.385 3.246 10 5 KGBEHM