smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCO[P@](=O)([O-])O ZINC000001849859 346078039 /nfs/dbraw/zinc/07/80/39/346078039.db2.gz SCIGVHCNNXTQDB-UHFFFAOYSA-N -1 2 238.264 3.236 10 30 in-vitro BGEELM CCCCCCCCCCO[P@@](=O)([O-])O ZINC000001849859 346078037 /nfs/dbraw/zinc/07/80/37/346078037.db2.gz SCIGVHCNNXTQDB-UHFFFAOYSA-N -1 2 238.264 3.236 10 30 in-vitro BGEELM CCCCCCCC/C(C(=O)O)=C(\C)C(=O)[O-] ZINC000077303212 388675474 /nfs/dbraw/zinc/67/54/74/388675474.db2.gz LCMOLLLQAOVJTC-KHPPLWFESA-N -1 2 242.315 3.223 10 30 in-vitro BGEELM CCc1c([S-])c(S)c(CC)c(C#N)c1C#N ZINC000584631202 358282964 /nfs/dbraw/zinc/28/29/64/358282964.db2.gz KOWGAVCPIGFITR-UHFFFAOYSA-N -1 2 248.376 3.132 10 30 BGEELM