smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1occ(C[NH+]2CCCCC2)c(O)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000218326153 570331267 /nfs/dbraw/zinc/33/12/67/570331267.db2.gz QXRZEHXLAWTAJC-UHFFFAOYSA-N 2 2 398.478 3.760 50 70 GHIALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000218326153 570331270 /nfs/dbraw/zinc/33/12/70/570331270.db2.gz QXRZEHXLAWTAJC-UHFFFAOYSA-N 2 2 398.478 3.760 50 70 GHIALP