smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(/N=C/c2cccc(F)c2O)ccc1-c1nc2ccccc2s1 ZINC000003087067 571344587 /nfs/dbraw/zinc/34/45/87/571344587.db2.gz ACQWFCNHAFZEJX-SSDVNMTOSA-N -2 1 364.401 5.264 50 30 FKEAML Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(Cl)cc2[O-])o1 ZINC000004739436 204159995 /nfs/dbraw/zinc/15/99/95/204159995.db2.gz HDZKPUTZTWULLK-UFFVCSGVSA-N -2 1 355.777 5.063 50 30 FKEAML O=C1/C(=C\c2ccc([O-])c(Cl)c2)CC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000084335032 571082496 /nfs/dbraw/zinc/08/24/96/571082496.db2.gz GHXHTBMFAPVGLX-PVRNWPCDSA-N -2 1 361.224 5.235 50 30 FKEAML O=C1/C(=C/c2ccc([O-])c(Cl)c2)CC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000098009200 571217936 /nfs/dbraw/zinc/21/79/36/571217936.db2.gz GHXHTBMFAPVGLX-FNCQTZNRSA-N -2 1 361.224 5.235 50 30 FKEAML