smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=Cc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC(C)C)s1 ZINC000066103370 184389649 /nfs/dbraw/zinc/38/96/49/184389649.db2.gz LZPBSOIZYNQALY-UHFFFAOYSA-N -1 2 313.315 3.048 1 0 DGAFLM C=Cc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC(C)C)s1 ZINC000066103370 184389651 /nfs/dbraw/zinc/38/96/51/184389651.db2.gz LZPBSOIZYNQALY-UHFFFAOYSA-N -1 2 313.315 3.048 1 0 DGAFLM CC(C)Cc1sc(Cl)nc1-c1ccc([P@@](=O)([O-])O)o1 ZINC000066103375 184389794 /nfs/dbraw/zinc/38/97/94/184389794.db2.gz SKZQHCHFWMLIRC-UHFFFAOYSA-N -1 2 321.722 3.058 1 0 DGAFLM CC(C)Cc1sc(Cl)nc1-c1ccc([P@](=O)([O-])O)o1 ZINC000066103375 184389795 /nfs/dbraw/zinc/38/97/95/184389795.db2.gz SKZQHCHFWMLIRC-UHFFFAOYSA-N -1 2 321.722 3.058 1 0 DGAFLM